SCHEMBL6769798

SCHEMBL6769798

COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 7/20 0.38
EDNRA P25101 7/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.36
GSTP1 P09211 1/20 0.36

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
SCHEMBL6778008 0.89 EDNRB (0.40) EDNRBEDNRAMAPTTP53
SCHEMBL6770956 0.88 EDNRB (0.40) EDNRBEDNRA
SCHEMBL6640800 0.88 EDNRB (0.41) EDNRBEDNRAMAPTTP53
SCHEMBL8044496 0.87 EDNRB (0.39) EDNRBEDNRAMAPTTP53
SCHEMBL6767029 0.87 EDNRB (0.42) EDNRBEDNRA
SCHEMBL6773477 0.86 EDNRB (0.39) EDNRBEDNRAMAPTTP53
SCHEMBL4770889 0.86 EDNRB (0.40) EDNRBEDNRAMAPTTP53
SCHEMBL8568832 0.86 EDNRA (0.52) EDNRBEDNRA
SCHEMBL6770266 0.86 EDNRB (0.39) EDNRBEDNRAMAPTTP53
SCHEMBL7947233 0.85 EDNRB (0.37) 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