Sugi Predict

Sugi Predict / Compounds / SCHEMBL7593503

SCHEMBL7593503

SCHEMBL7593503

COCOc1ccc(-c2sc3c(c2CNS(C)(=O)=O)c(=O)n(CC(=O)OCOC(=O)C(C)(C)C)c(=O)n3Cc2ccccc2SC)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 9/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ EDNRB P24530 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7592912 0.92 GNRHR (0.37) GNRHRKCNH2EDNRB
SCHEMBL6704311 0.90 GNRHR (0.36) GNRHRKCNH2EDNRB
SCHEMBL7593195 0.87 GNRHR (0.37) GNRHRKCNH2EDNRB
SCHEMBL7594584 0.86 GNRHR (0.36) GNRHRKCNH2EDNRB
SCHEMBL7596779 0.85 GNRHR (0.43) GNRHREDNRB
SCHEMBL7591509 0.85 GNRHR (0.37) GNRHREDNRB
SCHEMBL7594085 0.85 GNRHR (0.36) GNRHREDNRB
SCHEMBL7598751 0.85 GNRHR (0.36) GNRHRKCNH2EDNRB
SCHEMBL7593455 0.85 GNRHR (0.36) GNRHRKCNH2EDNRB
SCHEMBL7598723 0.85 GNRHR (0.36) GNRHRKCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846119-B1 THIENOPYRIMIDINE DERIVATIVES, THEIR PRODUCTION AND USE AS ENDOTHELIN ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-11-13 — — EP disclosed
US-6140325-A HAS ENDOTHELIN ANTAGONISTIC ACTION; FOR TREATING LIVER HYPOFUNCTION, ACUTE RENAL INSUFFICIENCY, CARDIAC INFARCTION OR LIVER INSUFFICIENCY, VASOCONSTRICTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-31 — — US disclosed