SCHEMBL7412005

SCHEMBL7412005

COc1ccc(CC(=O)N(C)Cc2cc(-c3ncco3)ccc2-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 19/20 0.87
EDNRA P25101 16/20 0.87

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
SCHEMBL7403460 0.93 EDNRB (0.85) EDNRBEDNRA
SCHEMBL6639249 0.93 EDNRB (0.87) EDNRBEDNRA
SCHEMBL6640358 0.93 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7399267 0.92 EDNRB (0.89) EDNRBEDNRA
SCHEMBL6644310 0.92 EDNRB (0.92) EDNRBEDNRA
SCHEMBL6637301 0.90 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7399050 0.90 EDNRB (0.81) EDNRBEDNRA
SCHEMBL7406397 0.89 EDNRB (0.87) EDNRBEDNRA
SCHEMBL6642154 0.88 EDNRB (0.88) EDNRBEDNRA
SCHEMBL7406249 0.88 EDNRB (0.84) EDNRBEDNRA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921800-A4 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL MYERS SQUIBB CO (US) 2000-12-06 EP claimed
EP-0921800-A1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-06-16 EP claimed
WO-1997029748-A1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-21 WO claimed