SCHEMBL7939688

SCHEMBL7939688

Cc1cnoc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.67
EDNRB P24530 2/20 0.67
KDM4E B2RXH2 2/20 0.67
TSHR P16473 2/20 0.67
HSD17B10 Q99714 2/20 0.67
MEN1 O00255 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
HPGD P15428 1/20 0.67
KMT2A Q03164 1/20 0.67
NSD2 O96028 1/20 0.58

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
Bms-182874 SCHEMBL802730 0.81 EDNRA (1.00) EDNRAEDNRBKDM4ETSHRHSD17B10
Bms-182874 SCHEMBL117150 0.80 EDNRA (0.98) EDNRAEDNRBKDM4ETSHRHSD17B10
SCHEMBL7857311 0.79 EDNRA (1.00) EDNRAEDNRBKDM4ETSHRHSD17B10
SCHEMBL7949496 0.77 EDNRA (0.76) EDNRAEDNRBKDM4ETSHRHSD17B10
SCHEMBL8784615 0.77 EDNRA (0.76) EDNRAEDNRBKDM4ETSHRHSD17B10
SCHEMBL7948271 0.76 EDNRA (0.64) EDNRAEDNRBKDM4ETSHRHSD17B10
SCHEMBL7939545 0.76 EDNRA (0.74) EDNRAEDNRBKDM4ETSHRHSD17B10
SCHEMBL7951138 0.76 EDNRA (0.74) EDNRAEDNRBKDM4ETSHRHSD17B10
SCHEMBL7939548 0.76 EDNRA (0.64) EDNRAEDNRBKDM4ETSHRHSD17B10
SCHEMBL7939668 0.76 EDNRA (0.67) EDNRAEDNRBKDM4ETSHRHSD17B10

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