SCHEMBL7939667

SCHEMBL7939667

Cc1noc(NS(=O)(=O)c2cccc3c(O)cccc23)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 9/20 1.00
EDNRB P24530 2/20 0.73
KDM4E B2RXH2 1/20 0.70
MEN1 O00255 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2C9 P11712 1/20 0.70
HPGD P15428 1/20 0.70
TSHR P16473 1/20 0.70
KMT2A Q03164 1/20 0.70
HSD17B10 Q99714 1/20 0.70

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
SCHEMBL8784072 0.85 EDNRA (0.77) EDNRAEDNRBKDM4EMEN1CYP3A4
SCHEMBL7946125 0.85 EDNRA (1.00) EDNRAEDNRBKDM4EMEN1CYP3A4
SCHEMBL7947142 0.85 EDNRA (0.77) EDNRAEDNRBKDM4EMEN1CYP3A4
SCHEMBL7858820 0.85 EDNRA (0.79) EDNRAEDNRBKDM4EMEN1CYP3A4
SCHEMBL7849770 0.84 EDNRA (1.00) EDNRAEDNRBKDM4EMEN1CYP3A4
SCHEMBL7949153 0.84 EDNRA (0.72) EDNRAEDNRBKDM4EMEN1CYP3A4
SCHEMBL7939622 0.84 EDNRA (1.00) EDNRAEDNRBKDM4EMEN1CYP3A4
SCHEMBL7644292 0.84 EDNRA (0.72) EDNRAEDNRBKDM4EMEN1CYP3A4
SCHEMBL7951256 0.84 EDNRA (1.00) EDNRAEDNRBKDM4EMEN1CYP3A4
SCHEMBL7946109 0.83 EDNRA (1.00) EDNRAEDNRBKDM4EMEN1CYP3A4

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-0558258-B1 N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-05-07 EP claimed
EP-0558258-A1 N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists E.R. SQUIBB & SONS, INC. (US) 1993-09-01 EP claimed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
EP-0558258-B1 N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-05-07 EP disclosed
US-5378715-A Sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1995-01-03 US disclosed
EP-0558258-A1 N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists E.R. SQUIBB & SONS, INC. (US) 1993-09-01 EP disclosed