TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 350.394 | Formula: C18H14N4O2S
H donors: 1 H acceptors: 4 LogP: 3.5 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1ccc(cc1)CSc1n[nH]c2c(n1)nc1c2cccc1
InChi: 1S/C18H14N4O2S/c1-24-17(23)12-8-6-11(7-9-12)10-25-18-20-16-15(21-22-18)13-4-2-3-5-14(13)19-16/h2-9,21H,10H2,1H3
InChiKey: CLSZFUBSIQEEHA-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0377	0.1271
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0136	0.2968	1
Brugia malayi	nuclear receptor NHR-67	0.0064	0.117	0.3943
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0136	0.2968	1
Schistosoma mansoni	nuclear hormone receptor	0.0064	0.117	0.0824
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0136	0.2968	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.2968	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.2968	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0136	0.2968	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.117	0.3943
Onchocerca volvulus		0.0064	0.117	0.3061
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0136	0.2968	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0136	0.2968	0.2692
Brugia malayi	Nuclear hormone receptor E75	0.0064	0.117	0.3943
Brugia malayi	hypothetical protein	0.0072	0.1363	0.4591
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1363	0.4591
Loa Loa (eye worm)	hypothetical protein	0.0136	0.2968	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0136	0.2968	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0136	0.2968	1
Brugia malayi	nuclear hormone receptor	0.0136	0.2968	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0072	0.1363	0.3804
Brugia malayi	nuclear receptor NHR-88	0.0064	0.117	0.3943
Loa Loa (eye worm)	hypothetical protein	0.0064	0.117	0.3943
Onchocerca volvulus	Protein ultraspiracle homolog	0.0136	0.2968	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0064	0.117	0.0824
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0136	0.2968	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0064	0.117	0.3943
Brugia malayi	nuclear receptor RXR	0.0072	0.1363	0.4591
Brugia malayi	Steroid receptor seven-up type 2	0.0136	0.2968	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0064	0.117	0.3061
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0064	0.117	0.3061
Loa Loa (eye worm)	hypothetical protein	0.0064	0.117	0.3943
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0377	0.1271
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1363	0.4591
Loa Loa (eye worm)	DR-78	0.0064	0.117	0.3943
Schistosoma mansoni	zinc finger protein	0.0064	0.117	0.0824
Loa Loa (eye worm)	hypothetical protein	0.0064	0.117	0.3943
Loa Loa (eye worm)	hypothetical protein	0.0064	0.117	0.3943
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0072	0.1363	0.3804
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0136	0.2968	0.2692
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0136	0.2968	0.2692
Brugia malayi	nuclear hormone receptor family member odr-7	0.0064	0.117	0.3943
Loa Loa (eye worm)	hypothetical protein	0.0064	0.117	0.3943
Loa Loa (eye worm)	hypothetical protein	0.0136	0.2968	1
Brugia malayi	intermediate filament protein	0.0033	0.0377	0.1271
Schistosoma mansoni	nuclear hormone receptor	0.0136	0.2968	0.2692
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0377	0.1271
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0136	0.2968	0.2692
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0064	0.117	0.3061
Brugia malayi	photoreceptor-specific nuclear receptor	0.0136	0.2968	1
Echinococcus granulosus	FTZ F1 alpha	0.0136	0.2968	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0136	0.2968	0.2692
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0136	0.2968	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0136	0.2968	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1363	0.4591
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0136	0.2968	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.2968	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0136	0.2968	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0136	0.2968	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0136	0.2968	1
Brugia malayi	conserved hypotetical protein	0.0064	0.117	0.3943
Schistosoma mansoni	coup transcription factor	0.0136	0.2968	0.2692
Brugia malayi	Nuclear hormone receptor-like 1	0.0072	0.1363	0.4591
Brugia malayi	tailless protein	0.0064	0.117	0.3943
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0064	0.117	0.3061
Brugia malayi	orphan nuclear receptor NR2E1	0.0064	0.117	0.3943
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0136	0.2968	1
Brugia malayi	nuclear receptor NHR-88	0.0136	0.2968	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0136	0.2968	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.2968	1
Brugia malayi	ecdysteroid receptor	0.0136	0.2968	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0136	0.2968	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0072	0.1363	0.4591
Schistosoma mansoni	nuclear hormone receptor	0.0064	0.117	0.0824
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0064	0.117	0.3943
Loa Loa (eye worm)	hypothetical protein	0.0064	0.117	0.3943
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0064	0.117	0.3061
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0362	0.1221
Loa Loa (eye worm)	hypothetical protein	0.0064	0.117	0.3943
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0136	0.2968	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0064	0.117	0.3061
Echinococcus multilocularis	nuclear receptor nhr 48	0.0064	0.117	0.3061
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0136	0.2968	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0136	0.2968	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0064	0.117	0.3061
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0136	0.2968	0.2692
Loa Loa (eye worm)	hypothetical protein	0.0136	0.2968	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0064	0.117	0.3061
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0136	0.2968	0.2692
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0064	0.117	0.0824
Loa Loa (eye worm)	hypothetical protein	0.0064	0.117	0.3943
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0064	0.117	0.3943
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0064	0.117	0.3061
Onchocerca volvulus	Bile acid receptor homolog	0.0136	0.2968	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.117	0.3943
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0064	0.117	0.3061
Schistosoma mansoni	thyroid hormone receptor	0.0136	0.2968	0.2692
Brugia malayi	hypothetical protein	0.0064	0.117	0.3943
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0064	0.117	0.3061
Echinococcus multilocularis	FTZ F1 alpha	0.0136	0.2968	1
Brugia malayi	ecdysone receptor	0.0064	0.117	0.3943
Loa Loa (eye worm)	steroid hormone receptor	0.0136	0.2968	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0136	0.2968	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0064	0.117	0.3943
Loa Loa (eye worm)	hypothetical protein	0.0064	0.117	0.3943
Brugia malayi	Nuclear hormone receptor E75	0.0064	0.117	0.3943
Brugia malayi	hypothetical protein	0.0072	0.1363	0.4591
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0136	0.2968	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1363	0.4591
Brugia malayi	nuclear receptor RXR	0.0064	0.117	0.3943
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0136	0.2968	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0136	0.2968	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0136	0.2968	0.2692
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0064	0.117	0.3061
Brugia malayi	Nuclear hormone receptor-like 1	0.0072	0.1363	0.4591
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0136	0.2968	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0136	0.2968	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0136	0.2968	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.2968	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0136	0.2968	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0136	0.2968	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0136	0.2968	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0064	0.117	0.3943
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0064	0.117	0.3061
Onchocerca volvulus		0.0064	0.117	0.3061
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0136	0.2968	1
Schistosoma mansoni	thyroid hormone receptor	0.0136	0.2968	0.2692
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0136	0.2968	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0136	0.2968	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.117	0.3943
Brugia malayi	hypothetical protein	0.0064	0.117	0.3943
Brugia malayi	nuclear hormone receptor	0.0064	0.117	0.3943
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0377	0.1271
Schistosoma mansoni	nuclear receptor	0.0064	0.117	0.0824
Brugia malayi	steroid hormone receptor	0.0136	0.2968	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1363	0.4591
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0136	0.2968	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0072	0.1363	0.1024
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0072	0.1363	0.1024
Schistosoma mansoni	retinoic acid receptor RXR	0.0136	0.2968	0.2692
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0136	0.2968	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0136	0.2968	1
Schistosoma mansoni	nuclear receptor	0.0064	0.117	0.0824
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0136	0.2968	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0136	0.2968	1
Onchocerca volvulus		0.0136	0.2968	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.117	0.3943

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.7783 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 89.1251 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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

ChEMBL: CHEMBL1546314
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 892683