SCHEMBL8630541

SCHEMBL8630541

CCn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.57
PTGS1 P23219 6/20 0.57
F10 P00742 5/20 0.38
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
NR1H3 Q13133 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
SCHEMBL8628738 0.92 PTGS2 (0.48) PTGS2PTGS1F10F2PRSS1
SCHEMBL8632879 0.91 PTGS2 (0.58) PTGS2PTGS1F10F2PRSS1
SCHEMBL8629123 0.91 PTGS2 (0.70) PTGS2PTGS1F10
SCHEMBL8630025 0.91 PTGS2 (0.58) PTGS2PTGS1F10F2
SCHEMBL8629984 0.89 PTGS2 (0.44) PTGS2PTGS1F10F2PRSS1
SCHEMBL8488736 0.88 PTGS2 (0.55) PTGS2PTGS1F10F2
SCHEMBL8634613 0.88 PTGS2 (0.55) PTGS2PTGS1F10F2
SCHEMBL8633059 0.88 PTGS2 (0.55) PTGS2PTGS1F10F2
SCHEMBL8631391 0.88 PTGS2 (0.55) PTGS2PTGS1F10
SCHEMBL8631939 0.87 PTGS2 (0.43) 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