SCHEMBL8628678

SCHEMBL8628678

CC#Cn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.46
PTGS1 P23219 3/20 0.46
TRPV1 Q8NER1 2/20 0.37
F10 P00742 6/20 0.35
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
MAPK14 Q16539 1/20 0.34
ENPP3 O14638 1/20 0.34

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
SCHEMBL8631538 0.93 PTGS2 (0.37) PTGS2PTGS1TRPV1F10
SCHEMBL8630982 0.92 PTGS2 (0.37) PTGS2PTGS1TRPV1F10MAPK14
SCHEMBL8630570 0.91 F10 (0.37) PTGS2PTGS1F10ENPP3
SCHEMBL8629119 0.89 PTGS2 (0.38) PTGS2PTGS1TRPV1F10
SCHEMBL8631947 0.89 F10 (0.46) PTGS2PTGS1F10
SCHEMBL8632159 0.88 F10 (0.38) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL8633155 0.85 PTGS2 (0.39) PTGS2PTGS1TRPV1F10
SCHEMBL8629017 0.85 PTGS2 (0.45) PTGS2PTGS1F10
SCHEMBL8631518 0.84 PTGS2 (0.50) PTGS2PTGS1TRPV1F10ALOX5AP
SCHEMBL8627953 0.83 PTGS2 (0.42) PTGS2PTGS1F10

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