SCHEMBL8631963

SCHEMBL8631963

Cc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)nn(CCCO)c2C(F)(F)F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.42
PTGS2 P35354 3/20 0.41
PTGS1 P23219 1/20 0.41
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
ALOX5AP P20292 3/20 0.37
FEN1 P39748 3/20 0.37
F2 P00734 4/20 0.37
PRSS1 P07477 3/20 0.37
KLKB1 P03952 1/20 0.37
PROC P04070 1/20 0.37
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 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
SCHEMBL8630948 0.89 PTGS2 (0.46) F10PTGS2PTGS1F2
SCHEMBL8633256 0.88 PTGS2 (0.44) F10PTGS2PTGS1SCN5ASCN9A
SCHEMBL8629753 0.88 PTGS2 (0.53) F10PTGS2PTGS1ALOX5APFEN1
SCHEMBL8633042 0.88 PTGS2 (0.41) F10PTGS2PTGS1ALOX5APFEN1
SCHEMBL8634283 0.87 F10 (0.42) F10PTGS2PTGS1SCN5ASCN9A
SCHEMBL8627992 0.87 PTGS2 (0.52) F10PTGS2PTGS1SCN5ASCN9A
SCHEMBL8629101 0.86 F10 (0.39) F10PTGS2PTGS1SCN5ASCN9A
SCHEMBL8631641 0.86 PTGS2 (0.43) F10PTGS2PTGS1SCN5ASCN9A
SCHEMBL8630527 0.86 PTGS2 (0.42) F10PTGS2PTGS1ALOX5APFEN1
SCHEMBL7777890 0.85 PTGS2 (0.57) PTGS2PTGS1

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