SCHEMBL8632159

SCHEMBL8632159

CC#Cn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(C)c(F)c2)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.38
ALOX5AP P20292 6/20 0.38
FEN1 P39748 6/20 0.38
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
KLKB1 P03952 1/20 0.35
PROC P04070 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PRSS2 P07478 1/20 0.34
PRSS3 P35030 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
SCHEMBL8629017 0.88 PTGS2 (0.45) F10F2PTGS1PTGS2
SCHEMBL8628678 0.88 PTGS2 (0.46) F10ALOX5APFEN1PTGS1PTGS2
SCHEMBL8630982 0.88 PTGS2 (0.37) F10PTGS1PTGS2
SCHEMBL8627953 0.86 PTGS2 (0.42) F10PTGS1PTGS2
SCHEMBL8631538 0.86 PTGS2 (0.37) F10F2PRSS1PTGS1PTGS2
SCHEMBL8631853 0.85 ALOX5AP (0.40) F10ALOX5APFEN1F2PRSS1
SCHEMBL8633155 0.85 PTGS2 (0.39) F10PTGS1PTGS2
SCHEMBL8630570 0.85 F10 (0.37) F10F2PRSS1PTGS1PTGS2
SCHEMBL7773150 0.85 PTGS2 (0.50) PTGS1PTGS2
SCHEMBL8629119 0.83 PTGS2 (0.38) F10F2PTGS1PTGS2

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