SCHEMBL8629753

SCHEMBL8629753

CCn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(C)c(F)c2)c1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.53
PTGS1 P23219 1/20 0.53
F10 P00742 9/20 0.40
ALOX5AP P20292 5/20 0.39
FEN1 P39748 5/20 0.39
F2 P00734 3/20 0.37
PRSS1 P07477 2/20 0.37
KLKB1 P03952 1/20 0.37
PROC P04070 1/20 0.37
PRSS2 P07478 1/20 0.36
PRSS3 P35030 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
SCHEMBL8630527 0.90 PTGS2 (0.42) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL8632378 0.89 PTGS2 (0.41) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL8631963 0.88 F10 (0.42) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL8633042 0.88 PTGS2 (0.41) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL8631748 0.88 PTGS2 (0.51) PTGS2PTGS1F10F2
SCHEMBL8631853 0.87 ALOX5AP (0.40) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL8630025 0.87 PTGS2 (0.58) PTGS2PTGS1F10F2
SCHEMBL8629123 0.87 PTGS2 (0.70) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL8629957 0.86 PTGS2 (0.48) PTGS2PTGS1F10F2
SCHEMBL8632879 0.86 PTGS2 (0.58) PTGS2PTGS1F10F2PRSS1

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