SCHEMBL6770524

SCHEMBL6770524

COCCOCN(c1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 5/20 0.61
EDNRA P25101 5/20 0.61

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
SCHEMBL6772703 0.79 EDNRA (0.78) EDNRBEDNRA
SCHEMBL6642697 0.78 EDNRA (0.68) EDNRBEDNRA
SCHEMBL6777322 0.78 EDNRA (0.62) EDNRBEDNRA
SCHEMBL6766562 0.77 EDNRA (0.78) EDNRBEDNRA
SCHEMBL6772268 0.77 EDNRA (0.78) EDNRBEDNRA
SCHEMBL6777867 0.76 EDNRA (0.86) EDNRBEDNRA
SCHEMBL6151288 0.76 EDNRA (1.00) EDNRBEDNRA
SCHEMBL6778007 0.76 EDNRA (1.00) EDNRBEDNRA
SCHEMBL6770711 0.76 EDNRA (0.73) EDNRBEDNRA
SCHEMBL7948523 0.76 EDNRA (0.59) 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
US-6673824-B1 HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB CO. 2004-01-06 US disclosed
US-6107320-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 2000-08-22 US disclosed
EP-0569193-B1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-02-26 EP disclosed
US-5514696-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1996-05-07 US disclosed