SCHEMBL8660193

SCHEMBL8660193

COc1c(F)cc(-c2c(F)c(F)c(F)c(F)c2-c2ccccc2S(N)(=O)=O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.44
PTGS1 P23219 5/20 0.44
ALOX5AP P20292 8/20 0.43
FEN1 P39748 8/20 0.43
F10 P00742 3/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LCK P06239 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36

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
SCHEMBL8661079 0.89 PTGS2 (0.39) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8657899 0.89 CA9 (0.47) PTGS2PTGS1ALOX5APFEN1ALDH1A1
SCHEMBL8661477 0.88 PTGS2 (0.54) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8661105 0.86 ALOX5AP (0.48) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8656757 0.86 PTGES2 (0.41) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8659866 0.86 PTGS2 (0.45) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8657869 0.85 ALOX5AP (0.45) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8661770 0.85 PTGS2 (0.60) PTGS2PTGS1ALOX5APFEN1
SCHEMBL8656979 0.84 PTGS2 (0.51) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8661455 0.84 ALOX5AP (0.46) PTGS2PTGS1ALOX5APFEN1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739166-A ALKYLSULFONYL OR AMINOSULFONYL SUBSTITUTED AROMATIC COMPOUNDS AS NON-STEROIDAL ANTIINFLAMMATORY AGENT G.D. SEARLE & CO. (US) 1998-04-14 US disclosed