SCHEMBL9536940

SCHEMBL9536940

CCNC(=O)c1ccc(NS(C)(=O)=O)c(Sc2ccc(F)cc2F)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.50
PTGS1 P23219 1/20 0.50
MAPK14 Q16539 6/20 0.40
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
EPHX2 P34913 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PLA2G7 Q13093 1/20 0.38

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
Diethylamine SCHEMBL9539513 0.96 PTGS2 (0.47) PTGS2PTGS1MAPK14GAATP53
SCHEMBL9537146 0.88 PTGS2 (0.53) PTGS2PTGS1MAPK14GAAALDH1A1
Hydrochloric Acid SCHEMBL9539508 0.87 L3MBTL1 (0.53) PTGS2PTGS1MAPK14ALDH1A1
SCHEMBL9536630 0.87 MAPT (0.48) PTGS2PTGS1GAATP53RXFP1
SCHEMBL9536305 0.87 PTGS2 (0.52) PTGS2PTGS1GAATP53PLA2G7
SCHEMBL9537417 0.85 PTGS2 (0.55) PTGS2PTGS1MAPK14GAAALDH1A1
SCHEMBL9536230 0.85 PTGS2 (0.55) PTGS2PTGS1ALDH1A1PLA2G7
SCHEMBL9539328 0.85 PTGS2 (0.50) PTGS2PTGS1MAPK14GAAALDH1A1
SCHEMBL9536928 0.84 PTGS2 (0.54) PTGS2PTGS1MAPK14PLA2G7
SCHEMBL9537336 0.83 PTGS2 (0.51) PTGS2PTGS1GAATP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292979-B1 NEW ALKANESULFONANILIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-21 EP disclosed
US-5034417-A Antiinflammatory agents or analgesics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0292979-A2 New alkanesulfonanilide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-30 EP disclosed