SCHEMBL8822152

SCHEMBL8822152

Cc1cc(NS(=O)(=O)c2ccc(N)cc2F)no1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
MAPT P10636 1/20 0.64
ADRA1A P35348 1/20 0.64
POLB P06746 1/20 0.50
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C9 P11712 1/20 0.47
PPIA P62937 3/20 0.46
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.43
SCN1A P35498 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN8A Q9UQD0 1/20 0.43

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
SCHEMBL6669597 0.79 KMT2A (0.54) ALDH1A1MAPTADRA1APOLBKMT2A
Sulfamethoxazole SCHEMBL3656 0.79 ALDH1A1 (1.00) ALDH1A1MAPTADRA1AKMT2ATSHR
Sulfamethoxazole SCHEMBL6896861 0.79 ALDH1A1 (1.00) ALDH1A1MAPTADRA1AKMT2ATSHR
SCHEMBL6669173 0.78 SCN1A (0.48) ALDH1A1MAPTADRA1APOLBKMT2A
SCHEMBL6667913 0.78 POLB (0.44) ALDH1A1MAPTADRA1APOLBKMT2A
SCHEMBL6668334 0.78 TSHR (0.48) ALDH1A1MAPTADRA1APOLBKMT2A
SCHEMBL6670578 0.78 HTT (0.49) ALDH1A1MAPTADRA1APOLBKMT2A
Sulfamethoxazole SCHEMBL5870744 0.77 ALDH1A1 (0.97) ALDH1A1MAPTADRA1AKMT2ATSHR
Sulfamethoxazole SCHEMBL28501919 0.77 ALDH1A1 (0.97) ALDH1A1MAPTADRA1AKMT2ATSHR
Sulfamethoxazole SCHEMBL22467841 0.77 ALDH1A1 (0.97) ALDH1A1MAPTADRA1AKMT2ATSHR

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
CN-1066441-C Phenyl sulfonamide endothelin antagonists SQUIBB & SONS INC (US) 2001-05-30 CN claimed
EP-0569193-B1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-02-26 EP claimed
US-5514696-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1996-05-07 US claimed
EP-0569193-B1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-02-26 EP disclosed