Detailed information for compound 1616744

Basic information

Technical information
  • TDR Targets ID: 1616744
  • Name: (5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazol idine-2,4-dione
  • MW: 211.261 | Formula: C8H5NO2S2
  • H donors: 1 H acceptors: 2 LogP: 1.91 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(=O)/C(=C/c2cccs2)/S1
  • InChi: 1S/C8H5NO2S2/c10-7-6(13-8(11)9-7)4-5-2-1-3-12-5/h1-4H,(H,9,10,11)/b6-4-
  • InChiKey: DOOLJLRRQAYVGK-XQRVVYSFSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
  • (5Z)-5-(2-thienylmethylene)thiazolidine-2,4-dione
  • 5-(2-thienylmethylene)thiazolidine-2,4-dione
  • 5-(2-thienylmethylene)thiazolidine-2,4-quinone
  • (5Z)-5-(2-thienylmethylene)thiazolidine-2,4-quinone
  • STOCK3S-88073
  • ZINC01309935

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Pre-SET motif family protein 0.0059 0.0365 0.0633
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0219 0.5
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0168 0.203 0.203
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0356 0.4906 0.4906
Onchocerca volvulus 0.0168 0.203 0.2657
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0919 0.0919
Schistosoma mansoni hypothetical protein 0.01 0.0996 0.0996
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0356 0.4906 0.4906
Loa Loa (eye worm) hypothetical protein 0.0168 0.203 0.3523
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0356 0.4906 0.8516
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0046 0.0172 0.0172
Brugia malayi nuclear receptor RXR 0.0188 0.2338 0.4058
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0412 0.5761 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0356 0.4906 0.4906
Schistosoma mansoni hypothetical protein 0.0036 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0356 0.4906 0.8516
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0356 0.4906 0.4906
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0356 0.4906 0.4906
Brugia malayi hypothetical protein 0.0188 0.2338 0.4058
Loa Loa (eye worm) hypothetical protein 0.0188 0.2338 0.4058
Loa Loa (eye worm) hypothetical protein 0.0168 0.203 0.3523
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0356 0.4906 0.8516
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0356 0.4906 0.4906
Onchocerca volvulus 0.0168 0.203 0.2657
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0168 0.203 0.203
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0188 0.2338 0.2338
Loa Loa (eye worm) hypothetical protein 0.01 0.0996 0.1729
Loa Loa (eye worm) hypothetical protein 0.0076 0.0617 0.107
Brugia malayi nuclear receptor NHR-88 0.0356 0.4906 0.8516
Echinococcus multilocularis FTZ F1 alpha 0.0356 0.4906 0.4906
Schistosoma mansoni hypothetical protein 0.0046 0.0172 0.0172
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0188 0.2338 0.2338
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0356 0.4906 0.4906
Brugia malayi orphan nuclear receptor NR2E1 0.0168 0.203 0.3523
Schistosoma mansoni zinc finger protein 0.0168 0.203 0.203
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0356 0.4906 0.4906
Loa Loa (eye worm) hypothetical protein 0.0168 0.203 0.3523
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0617 0.5
Loa Loa (eye worm) hypothetical protein 0.0168 0.203 0.3523
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.0617 0.0617
Loa Loa (eye worm) hypothetical protein 0.0188 0.2338 0.4058
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0356 0.4906 0.7247
Loa Loa (eye worm) hypothetical protein 0.0168 0.203 0.3523
Entamoeba histolytica hypothetical protein 0.0036 0.0011 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0059 0.0365 0.0365
Brugia malayi nuclear receptor NHR-88 0.0168 0.203 0.3523
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0168 0.203 0.203
Brugia malayi hypothetical protein 0.0188 0.2338 0.4058
Brugia malayi nuclear hormone receptor family member odr-7 0.0168 0.203 0.3523
Brugia malayi ecdysone receptor 0.0168 0.203 0.3523
Brugia malayi hypothetical protein 0.0036 0.0011 0.0018
Loa Loa (eye worm) hypothetical protein 0.0356 0.4906 0.8516
Brugia malayi Probable ClpP-like protease 0.0076 0.0617 0.107
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0188 0.2338 0.2338
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0168 0.203 0.2657
Brugia malayi nuclear receptor RXR 0.0168 0.203 0.3523
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0046 0.0172 0.0172
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0219 0.0219
Schistosoma mansoni nuclear hormone receptor 0.0168 0.203 0.203
Brugia malayi photoreceptor-specific nuclear receptor 0.0356 0.4906 0.8516
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0356 0.4906 0.4906
Brugia malayi Nuclear hormone receptor E75 0.0168 0.203 0.3523
Loa Loa (eye worm) hypothetical protein 0.0168 0.203 0.3523
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0059 0.0365 0.0365
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0356 0.4906 0.4906
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0011 0.0011
Onchocerca volvulus 0.0469 0.6632 1
Brugia malayi nuclear hormone receptor 0.0356 0.4906 0.8516
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0617 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0147 0.1707 0.2963
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0081 0.0081
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0356 0.4906 0.8516
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0188 0.2338 0.2338
Echinococcus multilocularis thyroid hormone receptor alpha 0.0356 0.4906 0.4906
Schistosoma mansoni RAR-like nuclear receptor 0.0356 0.4906 0.4906
Schistosoma mansoni steroid hormone receptor ad4bp 0.0356 0.4906 0.4906
Entamoeba histolytica hypothetical protein 0.0036 0.0011 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0356 0.4906 0.8516
Brugia malayi ecdysteroid receptor 0.0356 0.4906 0.8516
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0356 0.4906 0.8516
Schistosoma mansoni thyroid hormone receptor 0.0356 0.4906 0.4906
Echinococcus multilocularis ecdysone induced protein 78C 0.0356 0.4906 0.4906
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0365 0.0365
Loa Loa (eye worm) hypothetical protein 0.0168 0.203 0.3523
Loa Loa (eye worm) hypothetical protein 0.0188 0.2338 0.4058
Brugia malayi hypothetical protein 0.0168 0.203 0.3523
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0356 0.4906 0.4906
Brugia malayi jmjC domain containing protein 0.0095 0.0919 0.1596
Brugia malayi Nuclear hormone receptor E75 0.0168 0.203 0.3523
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0356 0.4906 0.4906
Schistosoma mansoni hypothetical protein 0.0046 0.0172 0.0172
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0356 0.4906 0.4906
Brugia malayi latrophilin 2 splice variant baaae 0.01 0.0996 0.1729
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0011 0.0011
Echinococcus granulosus Nuclear hormone receptor HR96 0.0168 0.203 0.203
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0356 0.4906 0.8516
Entamoeba histolytica hypothetical protein 0.0036 0.0011 0.5
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.0617 0.0617
Schistosoma mansoni retinoic acid receptor RXR 0.0356 0.4906 0.4906
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0356 0.4906 0.8516
Brugia malayi tailless protein 0.0168 0.203 0.3523
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0168 0.203 0.203
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0168 0.203 0.3523
Brugia malayi steroid hormone receptor 0.0356 0.4906 0.8516
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0356 0.4906 0.8516
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0356 0.4906 0.8516
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0011 0.0011
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0168 0.203 0.2657
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0147 0.1707 0.2963
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.0617 0.0617
Loa Loa (eye worm) hypothetical protein 0.0168 0.203 0.3523
Schistosoma mansoni hypothetical protein 0.0046 0.0172 0.0172
Echinococcus multilocularis nuclear receptor nhr 48 0.0168 0.203 0.203
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.038 0.066
Loa Loa (eye worm) hypothetical protein 0.0356 0.4906 0.8516
Brugia malayi Nuclear hormone receptor-like 1 0.0188 0.2338 0.4058
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0356 0.4906 0.8516
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0356 0.4906 0.4906
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0057 0.0331 0.0331
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.0365 0.0365
Loa Loa (eye worm) hypothetical protein 0.0168 0.203 0.3523
Loa Loa (eye worm) hypothetical protein 0.0168 0.203 0.3523
Trichomonas vaginalis set domain proteins, putative 0.0469 0.6632 0.5
Schistosoma mansoni nuclear receptor nhr-48 0.0168 0.203 0.203
Loa Loa (eye worm) hypothetical protein 0.0046 0.0172 0.0298
Loa Loa (eye worm) steroid hormone receptor 0.0356 0.4906 0.8516
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0356 0.4906 0.8516
Brugia malayi nuclear hormone receptor 0.0168 0.203 0.3523
Echinococcus granulosus Nuclear hormone receptor HR96 0.0168 0.203 0.203
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0219 0.0219
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0168 0.203 0.203
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0356 0.4906 0.8516
Loa Loa (eye worm) hypothetical protein 0.0168 0.203 0.3523
Echinococcus granulosus thyroid hormone receptor alpha 0.0168 0.203 0.203
Entamoeba histolytica hypothetical protein 0.0036 0.0011 0.5
Loa Loa (eye worm) hypothetical protein 0.0059 0.0365 0.0633
Schistosoma mansoni thyroid hormone receptor 0.0356 0.4906 0.4906
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0617 0.5
Loa Loa (eye worm) hypothetical protein 0.0356 0.4906 0.8516
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0168 0.203 0.203
Loa Loa (eye worm) hypothetical protein 0.0168 0.203 0.3523
Echinococcus granulosus nuclear receptor nhr 48 0.0168 0.203 0.203
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0046 0.0172 0.0298
Schistosoma mansoni nuclear hormone receptor 0.0356 0.4906 0.4906
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0046 0.0172 0.0172
Brugia malayi Latrophilin receptor protein 2 0.0046 0.0172 0.0298
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.0617 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0147 0.1707 0.2963
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0356 0.4906 0.4906
Loa Loa (eye worm) hypothetical protein 0.0168 0.203 0.3523
Loa Loa (eye worm) nuclear receptor NHR-67 0.0168 0.203 0.3523
Loa Loa (eye worm) DR-78 0.0168 0.203 0.3523
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0617 0.5
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0219 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0356 0.4906 0.4906
Loa Loa (eye worm) hypothetical protein 0.0147 0.1707 0.2963
Loa Loa (eye worm) latrophilin receptor protein 2 0.0046 0.0172 0.0298
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0356 0.4906 0.8516
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0356 0.4906 0.8516
Echinococcus multilocularis GPCR, family 2 0.0046 0.0172 0.0172
Brugia malayi nuclear hormone receptor family member nhr-6 0.0168 0.203 0.3523
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0356 0.4906 0.4906
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0356 0.4906 0.8516
Loa Loa (eye worm) hypothetical protein 0.0188 0.2338 0.4058
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0356 0.4906 0.4906
Echinococcus granulosus GPCR family 2 0.0046 0.0172 0.0172
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0356 0.4906 0.8516
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0617 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0356 0.4906 0.8516
Echinococcus granulosus ecdysone induced protein 78C 0.0356 0.4906 0.4906
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0356 0.4906 0.8516
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0046 0.0172 0.0172
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0617 0.5
Loa Loa (eye worm) nuclear hormone receptor 0.0168 0.203 0.3523
Onchocerca volvulus 0.0356 0.4906 0.7247
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0168 0.203 0.203
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0168 0.203 0.3523
Schistosoma mansoni jumonji domain containing protein 0.0076 0.062 0.062
Schistosoma mansoni nuclear receptor 0.0168 0.203 0.203
Brugia malayi Pre-SET motif family protein 0.0412 0.5761 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0356 0.4906 0.8516
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.0617 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0919 0.0919
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0356 0.4906 0.4906
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0365 0.0365
Schistosoma mansoni coup transcription factor 0.0356 0.4906 0.4906
Loa Loa (eye worm) hypothetical protein 0.005 0.0224 0.039
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0617 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0365 0.0365
Brugia malayi Steroid receptor seven-up type 2 0.0356 0.4906 0.8516
Echinococcus granulosus histone lysine methyltransferase setb 0.0059 0.0365 0.0365
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0617 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0188 0.2338 0.4058
Loa Loa (eye worm) hypothetical protein 0.0188 0.2338 0.4058
Onchocerca volvulus Protein ultraspiracle homolog 0.0356 0.4906 0.7247
Onchocerca volvulus Bile acid receptor homolog 0.0356 0.4906 0.7247
Schistosoma mansoni nuclear hormone receptor 0.0168 0.203 0.203
Brugia malayi hypothetical protein 0.0168 0.203 0.3523
Brugia malayi conserved hypotetical protein 0.0168 0.203 0.3523
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0168 0.203 0.203
Schistosoma mansoni nuclear receptor 0.0168 0.203 0.203
Loa Loa (eye worm) hypothetical protein 0.0356 0.4906 0.8516
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0081 0.0081
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0168 0.203 0.203
Loa Loa (eye worm) hypothetical protein 0.0356 0.4906 0.8516
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0356 0.4906 0.8516
Brugia malayi nuclear receptor NHR-67 0.0168 0.203 0.3523
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0356 0.4906 0.8516
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.0617 1
Schistosoma mansoni hypothetical protein 0.0046 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0356 0.4906 0.8516
Echinococcus granulosus FTZ F1 alpha 0.0356 0.4906 0.4906
Loa Loa (eye worm) hypothetical protein 0.0356 0.4906 0.8516
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0188 0.2338 0.4058

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 24 % Inhibition of bovine plasma thrombin using Boc-Val-Pro-Arg-AMC as substrate at 25 uM preincubated for 15 mins measured after 10 mins by fluorimetric assay ChEMBL. 22077389

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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