Detailed information for compound 1816550

Basic information

Technical information
  • TDR Targets ID: 1816550
  • Name: methyl (2E)-2-[2-(1,3-benzothiazol-2-ylsulfan ylmethyl)phenyl]-2-methoxyiminoacetate
  • MW: 372.461 | Formula: C18H16N2O3S2
  • H donors: 0 H acceptors: 2 LogP: 5.04 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO/N=C(\c1ccccc1CSc1nc2c(s1)cccc2)/C(=O)OC
  • InChi: 1S/C18H16N2O3S2/c1-22-17(21)16(20-23-2)13-8-4-3-7-12(13)11-24-18-19-14-9-5-6-10-15(14)25-18/h3-10H,11H2,1-2H3/b20-16+
  • InChiKey: ZQPSIBHSYMCHKS-CAPFRKAQSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • methyl (2E)-2-[2-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-2-methoxyimino-acetate
  • (2E)-2-[2-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-2-methoxyiminoacetic acid methyl ester
  • (2E)-2-[2-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-2-methoxyimino-acetic acid methyl ester
  • methyl (2E)-2-[2-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-2-methoxyimino-ethanoate

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
Onchocerca volvulus 0.1013 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0478 0.4157 0.3707
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.1013 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0478 0.4157 0.3707
Brugia malayi Nuclear hormone receptor-like 1 0.0535 0.4782 0.4782
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0494 0.4333 0.3897
Brugia malayi Nuclear hormone receptor family member nhr-25 0.1013 1 1
Loa Loa (eye worm) hypothetical protein 0.0535 0.4782 0.448
Brugia malayi Nuclear hormone receptor family member nhr-3 0.1013 1 1
Loa Loa (eye worm) hypothetical protein 0.0478 0.4157 0.3818
Brugia malayi conserved hypotetical protein 0.0478 0.4157 0.4157
Loa Loa (eye worm) hypothetical protein 0.0478 0.4157 0.3818
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0478 0.4157 0.4157
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.031 0.2323 1
Loa Loa (eye worm) hypothetical protein 0.0478 0.4157 0.3818
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.1013 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.1013 1 1
Echinococcus granulosus nuclear receptor nhr 48 0.0478 0.4157 0.3707
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0163 0.0715 0.0715
Loa Loa (eye worm) hypothetical protein 0.1013 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0478 0.4157 0.3707
Brugia malayi nuclear receptor NHR-88 0.0478 0.4157 0.4157
Echinococcus multilocularis ecdysone induced protein 78C 0.1013 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.1013 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.1013 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0478 0.4157 0.3707
Schistosoma mansoni zinc finger protein 0.0478 0.4157 0.4157
Loa Loa (eye worm) hypothetical protein 0.0478 0.4157 0.3818
Brugia malayi nuclear receptor RXR 0.0478 0.4157 0.4157
Brugia malayi ecdysone receptor 0.0478 0.4157 0.4157
Brugia malayi Nuclear hormone receptor E75 0.0478 0.4157 0.4157
Loa Loa (eye worm) hypothetical protein 0.1013 1 1
Loa Loa (eye worm) hypothetical protein 0.0478 0.4157 0.3818
Brugia malayi Nuclear hormone receptor family member nhr-25 0.1013 1 1
Brugia malayi nuclear receptor NHR-88 0.1013 1 1
Loa Loa (eye worm) hypothetical protein 0.0535 0.4782 0.448
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0494 0.4333 0.4333
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.1013 1 1
Loa Loa (eye worm) hypothetical protein 0.0478 0.4157 0.3818
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.1013 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0267 0.1857 0.7993
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.1013 1 1
Loa Loa (eye worm) hypothetical protein 0.1013 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0478 0.4157 0.4157
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0535 0.4782 0.448
Loa Loa (eye worm) hypothetical protein 0.1013 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.012 0.0249 0.107
Schistosoma mansoni coup transcription factor 0.1013 1 1
Echinococcus multilocularis FTZ F1 alpha 0.1013 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0298 0.2188 0.9418
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0478 0.4157 0.3707
Loa Loa (eye worm) hypothetical protein 0.0478 0.4157 0.3818
Brugia malayi Nuclear hormone receptor E75 0.0478 0.4157 0.4157
Schistosoma mansoni nuclear hormone receptor 0.0478 0.4157 0.4157
Schistosoma mansoni nuclear receptor 0.0478 0.4157 0.4157
Brugia malayi orphan nuclear receptor NR2E1 0.0478 0.4157 0.4157
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.031 0.2323 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.1013 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.1013 1 1
Brugia malayi hypothetical protein 0.0535 0.4782 0.4782
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0535 0.4782 0.4381
Brugia malayi Nuclear hormone receptor-like 1 0.1013 1 1
Schistosoma mansoni nuclear hormone receptor 0.0478 0.4157 0.4157
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0535 0.4782 0.4782
Loa Loa (eye worm) hypothetical protein 0.0478 0.4157 0.3818
Echinococcus granulosus ecdysone induced protein 78C 0.1013 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.1013 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.1013 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.1013 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0097 0 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.1013 1 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0478 0.4157 0.4157
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.1013 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.1013 1 1
Brugia malayi nuclear hormone receptor 0.0478 0.4157 0.4157
Echinococcus granulosus FTZ F1 alpha 0.1013 1 1
Loa Loa (eye worm) hypothetical protein 0.0163 0.0715 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-1 0.1013 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0478 0.4157 0.3818
Loa Loa (eye worm) hypothetical protein 0.0478 0.4157 0.3818
Brugia malayi Nuclear hormone receptor family member nhr-49 0.1013 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.1013 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.1013 1 1
Loa Loa (eye worm) hypothetical protein 0.0478 0.4157 0.3818
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.1013 1 1
Loa Loa (eye worm) hypothetical protein 0.1013 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.1013 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.1013 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.1013 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0478 0.4157 0.3707
Brugia malayi Nuclear hormone receptor family member nhr-14 0.1013 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.1013 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0478 0.4157 0.4157
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0535 0.4782 0.4381
Loa Loa (eye worm) hypothetical protein 0.0535 0.4782 0.448
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.031 0.2323 1
Brugia malayi Steroid receptor seven-up type 2 0.1013 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0244 0.1608 0.6923
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0202 0.1142 0.5
Brugia malayi tailless protein 0.0478 0.4157 0.4157
Echinococcus multilocularis thyroid hormone receptor alpha 0.1013 1 1
Loa Loa (eye worm) hypothetical protein 0.0478 0.4157 0.3818
Echinococcus granulosus retinoic acid receptor rxr beta a 0.1013 1 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0494 0.4333 0.3897
Schistosoma mansoni nuclear hormone receptor 0.1013 1 1
Schistosoma mansoni nuclear receptor 0.0478 0.4157 0.4157
Brugia malayi hypothetical protein 0.0535 0.4782 0.4782
Echinococcus multilocularis nuclear receptor nhr 48 0.0478 0.4157 0.3707
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.031 0.2323 1
Loa Loa (eye worm) hypothetical protein 0.0478 0.4157 0.3818
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0478 0.4157 0.3707
Brugia malayi hypothetical protein 0.0478 0.4157 0.4157
Brugia malayi Nuclear hormone receptor family member nhr-40 0.1013 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.1013 1 1
Loa Loa (eye worm) DR-78 0.0478 0.4157 0.3818
Brugia malayi Nuclear hormone receptor-like 1 0.0535 0.4782 0.4782
Entamoeba histolytica hypothetical protein 0.0267 0.1857 0.7993
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.1013 1 1
Loa Loa (eye worm) hypothetical protein 0.0478 0.4157 0.3818
Loa Loa (eye worm) hypothetical protein 0.0535 0.4782 0.448
Brugia malayi hypothetical protein 0.0478 0.4157 0.4157
Loa Loa (eye worm) steroid hormone receptor 0.1013 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0451 0.3867 0.3512
Brugia malayi nuclear receptor NHR-67 0.0478 0.4157 0.4157
Onchocerca volvulus Bile acid receptor homolog 0.1013 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.031 0.2323 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.1013 1 1
Brugia malayi nuclear hormone receptor 0.1013 1 1
Schistosoma mansoni thyroid hormone receptor 0.1013 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.1013 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.1013 1 1
Loa Loa (eye worm) hypothetical protein 0.0535 0.4782 0.448
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0478 0.4157 0.3707
Schistosoma mansoni thyroid hormone receptor 0.1013 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0478 0.4157 0.4157
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0478 0.4157 0.3707
Schistosoma mansoni RAR-like nuclear receptor 0.1013 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.031 0.2323 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.1013 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.031 0.2323 0.2323
Brugia malayi photoreceptor-specific nuclear receptor 0.1013 1 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0478 0.4157 0.3707
Loa Loa (eye worm) hypothetical protein 0.1013 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0244 0.1608 0.6923
Brugia malayi steroid hormone receptor 0.1013 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.1013 1 1
Loa Loa (eye worm) hypothetical protein 0.1013 1 1
Brugia malayi nuclear receptor RXR 0.0535 0.4782 0.4782
Echinococcus granulosus nuclear receptor 2DBD gamma 0.1013 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.1013 1 1
Loa Loa (eye worm) hypothetical protein 0.1013 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.1013 1 1
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0184 0.0949 0.0949
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.1013 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0478 0.4157 0.3818
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0478 0.4157 0.3818
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.1013 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0535 0.4782 0.4782
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0478 0.4157 0.4157

Activities

No activities found for this compound.

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.