SCHEMBL6640872

SCHEMBL6640872

Cc1ccc(-c2ccn(Cc3cc(-c4ncco4)ccc3-c3ccccc3S(=O)(=O)Nc3onc(C)c3C)n2)cn1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 19/20 0.76
EDNRA P25101 18/20 0.76

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
SCHEMBL6639823 0.94 EDNRB (0.79) EDNRBEDNRA
SCHEMBL6643125 0.91 EDNRB (0.77) EDNRBEDNRA
SCHEMBL6646497 0.86 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6637517 0.86 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6641360 0.85 EDNRB (0.82) EDNRBEDNRA
SCHEMBL6642251 0.84 EDNRB (0.82) EDNRBEDNRA
SCHEMBL6638424 0.84 EDNRB (0.79) EDNRBEDNRA
SCHEMBL6644730 0.83 EDNRB (0.76) EDNRBEDNRA
SCHEMBL6644358 0.82 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6639597 0.82 EDNRB (0.74) 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 4 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
EP-0921800-B1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL MYERS SQUIBB CO (US) 2004-04-14 EP disclosed