SCHEMBL6772610

SCHEMBL6772610

COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 7/20 0.39
EDNRA P25101 7/20 0.39
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL7961387 0.93 POLB (0.39) EDNRBEDNRATP53MAPT
SCHEMBL6640800 0.92 EDNRB (0.41) EDNRBEDNRATP53MAPT
SCHEMBL6778008 0.90 EDNRB (0.40) EDNRBEDNRATP53MAPT
SCHEMBL6770266 0.90 EDNRB (0.39) EDNRBEDNRATP53MAPT
SCHEMBL8062314 0.90 EDNRB (0.38) EDNRBEDNRA
SCHEMBL6772130 0.89 TP53 (0.39) EDNRBEDNRATP53MAPT
SCHEMBL6642156 0.88 EDNRA (0.39) EDNRBEDNRATP53MAPT
SCHEMBL4774144 0.88 TP53 (0.39) EDNRBEDNRATP53MAPT
SCHEMBL8568832 0.88 EDNRA (0.52) EDNRBEDNRA
SCHEMBL4770889 0.88 EDNRB (0.40) EDNRBEDNRATP53MAPT

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