SCHEMBL8628935

SCHEMBL8628935

CC#Cn1cc(-c2ccc(F)cc2)c(-c2ccccc2S(N)(=O)=O)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.44
PTGS1 P23219 3/20 0.44
TRPV1 Q8NER1 1/20 0.38
ALOX5AP P20292 4/20 0.38
FEN1 P39748 4/20 0.38
ENPP3 O14638 1/20 0.37
F10 P00742 5/20 0.36
CA9 Q16790 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35

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
SCHEMBL8627787 0.90 F10 (0.38) TRPV1F10CA9F2PRSS1
SCHEMBL8630126 0.89 F10 (0.39) ALOX5APFEN1ENPP3F10CA9
SCHEMBL8630001 0.88 PTGS2 (0.44) PTGS2PTGS1ENPP3F10CA9
SCHEMBL8629426 0.86 F10 (0.47) F10F2
SCHEMBL8631849 0.86 ALOX5AP (0.45) ALOX5APFEN1ENPP3F10F2
SCHEMBL7780383 0.83 PTGS2 (0.50) PTGS2PTGS1CA9
SCHEMBL8628010 0.83 PTGS2 (0.53) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8631026 0.82 CSNK1D (0.53) PTGS2PTGS1TRPV1ALOX5APFEN1
SCHEMBL8631051 0.79 PTGS2 (0.48) PTGS2PTGS1TRPV1ALOX5APFEN1
SCHEMBL7780848 0.77 PTGS2 (0.49) PTGS2PTGS1CA9

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