SCHEMBL8631047

SCHEMBL8631047

COc1c(F)cc(-c2c[nH]nc2-c2ccccc2S(N)(=O)=O)cc1F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 6/20 0.42
FEN1 P39748 6/20 0.42
PTGS2 P35354 4/20 0.41
PTGS1 P23219 3/20 0.41
F10 P00742 3/20 0.38
PTGES2 Q9H7Z7 1/20 0.37

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
SCHEMBL8628069 0.87 F10 (0.35) PTGS2PTGS1F10PTGES2
SCHEMBL8629321 0.86 PTGS2 (0.59) ALOX5APFEN1PTGS2PTGS1
SCHEMBL8631176 0.86 PTGS2 (0.46) PTGS2PTGS1PTGES2
SCHEMBL8632812 0.84 ALOX5AP (0.47) ALOX5APFEN1PTGS2PTGS1F10
SCHEMBL7779676 0.83 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8656979 0.82 PTGS2 (0.51) ALOX5APFEN1PTGS2PTGS1F10
SCHEMBL8632216 0.81 SCN9A (0.46) F10
SCHEMBL8657330 0.80 PTGS2 (0.51) ALOX5APFEN1PTGS2PTGS1F10
SCHEMBL8631181 0.80 PTGS2 (0.50) ALOX5APFEN1PTGS2PTGS1
SCHEMBL8629397 0.80 ALOX5AP (0.40) ALOX5APFEN1PTGES2

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-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed