SCHEMBL6771045

SCHEMBL6771045

CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2onc(C)c2C)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.67
EDNRB P24530 3/20 0.67
ALDH1A1 P00352 1/20 0.64
P2RY1 P47900 2/20 0.62
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
RAB9A P51151 1/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA7 P43166 1/20 0.53

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
SCHEMBL6771238 0.86 EDNRA (0.61) EDNRAEDNRBP2RY1MEN1POLB
SCHEMBL7857278 0.83 TP53 (0.72) EDNRAEDNRBP2RY1MEN1POLB
SCHEMBL7939644 0.82 EDNRA (0.67) EDNRAEDNRB
SCHEMBL8785066 0.82 EDNRA (0.67) EDNRAEDNRB
SCHEMBL7951178 0.82 P2RY1 (0.64) ALDH1A1P2RY1MEN1POLBMAPT
SCHEMBL8784309 0.81 P2RY1 (0.63) P2RY1MEN1POLBMAPTKMT2A
SCHEMBL7850030 0.81 EDNRA (1.00) EDNRAEDNRBALDH1A1
SCHEMBL6770134 0.79 EDNRA (0.69) EDNRAEDNRB
SCHEMBL6777190 0.79 EDNRA (0.76) EDNRAEDNRBALDH1A1MEN1KMT2A
SCHEMBL9088061 0.79 EDNRA (0.67) EDNRAEDNRBALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569193-B1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-02-26 EP claimed
EP-0569193-A1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists E.R. SQUIBB & SONS, INC. (US) 1993-11-10 EP claimed
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
EP-0569193-A1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists E.R. SQUIBB & SONS, INC. (US) 1993-11-10 EP disclosed