SCHEMBL8632812

SCHEMBL8632812

Cc1ccc(-c2c[nH]nc2-c2ccccc2S(N)(=O)=O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 11/20 0.47
FEN1 P39748 11/20 0.47
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
F10 P00742 3/20 0.39
TRPV1 Q8NER1 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
SCHEMBL8630031 0.89 PTGS2 (0.41) ALOX5APFEN1PTGS1PTGS2F10
SCHEMBL8629321 0.86 PTGS2 (0.59) ALOX5APFEN1PTGS1PTGS2
SCHEMBL8629486 0.84 ALOX5AP (0.44) ALOX5APFEN1F10TRPV1
SCHEMBL7778071 0.84 PTGS2 (0.53) PTGS1PTGS2
SCHEMBL8631047 0.84 ALOX5AP (0.42) ALOX5APFEN1PTGS1PTGS2F10
SCHEMBL8627772 0.83 PTGS2 (0.47) PTGS1PTGS2F10
SCHEMBL8631181 0.83 PTGS2 (0.50) ALOX5APFEN1PTGS1PTGS2TRPV1
SCHEMBL8632840 0.83 LRRK2 (0.42) PTGS1PTGS2F10
SCHEMBL8631346 0.82 NPC1 (0.40) ALOX5APFEN1
SCHEMBL8660031 0.81 ALOX5AP (0.53) ALOX5APFEN1PTGS1PTGS2F10

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