SCHEMBL8628757

SCHEMBL8628757

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 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.38
ALOX5AP P20292 6/20 0.38
FEN1 P39748 6/20 0.38
F2 P00734 1/20 0.35
KLKB1 P03952 1/20 0.35
PROC P04070 1/20 0.35
PRSS1 P07477 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
TRPV1 Q8NER1 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
SCHEMBL8631765 0.88 PTGS2 (0.45) F10F2PTGS1PTGS2
SCHEMBL8631340 0.88 PTGS2 (0.37) F10F2PTGS1PTGS2TRPV1
SCHEMBL8631554 0.88 PTGS2 (0.46) F10ALOX5APFEN1F2PTGS1
SCHEMBL8627803 0.86 PTGS2 (0.37) F10F2PRSS1PTGS1PTGS2
SCHEMBL8631853 0.85 ALOX5AP (0.40) F10ALOX5APFEN1F2KLKB1
SCHEMBL8631100 0.85 PTGS2 (0.39) F10F2PTGS1PTGS2TRPV1
SCHEMBL7779636 0.85 PTGS2 (0.50) PTGS1PTGS2
SCHEMBL8629763 0.85 F10 (0.39) F10F2PRSS1PTGS1PTGS2
SCHEMBL8635118 0.83 F10 (0.46) F10F2PTGS1PTGS2
SCHEMBL8634395 0.83 PTGS2 (0.38) F10F2PRSS1PTGS1PTGS2

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