SCHEMBL7406249

SCHEMBL7406249

COc1cc(OC)cc(C(=O)N(C)Cc2cc(-c3ncco3)ccc2-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 19/20 0.84
EDNRA P25101 17/20 0.84

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
SCHEMBL6641562 0.94 EDNRB (0.84) EDNRBEDNRA
SCHEMBL6639342 0.91 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6641049 0.90 EDNRB (0.86) EDNRBEDNRA
SCHEMBL6639733 0.90 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6639459 0.90 EDNRB (0.91) EDNRBEDNRA
SCHEMBL6640097 0.90 EDNRB (0.94) EDNRBEDNRA
SCHEMBL6638593 0.89 EDNRB (0.85) EDNRBEDNRA
SCHEMBL6643031 0.89 EDNRB (0.79) EDNRBEDNRA
SCHEMBL6643119 0.89 EDNRB (0.89) EDNRBEDNRA
SCHEMBL6638348 0.89 EDNRB (0.89) 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