SCHEMBL7592371

SCHEMBL7592371

CCCOc1ccc(-c2sc3c(c2CNS(=O)(=O)C(C)C)c(=O)n(CC(=O)O)c(=O)n3Cc2ccccc2SC)cc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 14/20 0.35
EDNRB P24530 1/20 0.32
KMT2A Q03164 1/20 0.32
P2RX3 P56373 3/20 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
SCHEMBL7595931 0.93 GNRHR (0.36) GNRHRKMT2A
SCHEMBL7595053 0.92 GNRHR (0.35) GNRHREDNRBKMT2A
SCHEMBL7592385 0.92 GNRHR (0.35) GNRHREDNRBKMT2A
SCHEMBL7592033 0.92 GNRHR (0.37) GNRHREDNRBKMT2A
SCHEMBL7594784 0.90 GNRHR (0.35) GNRHREDNRBKMT2A
SCHEMBL7593507 0.86 GNRHR (0.37) GNRHREDNRBKMT2A
SCHEMBL7591509 0.86 GNRHR (0.37) GNRHREDNRBKMT2A
SCHEMBL7598726 0.85 L3MBTL1 (0.37) GNRHREDNRBKMT2A
SCHEMBL7593455 0.85 GNRHR (0.36) GNRHREDNRBKMT2A
SCHEMBL804312 0.85 GNRHR (0.36) GNRHREDNRBKMT2A

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