SCHEMBL6745117

SCHEMBL6745117

Cc1ccc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)cc2F)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 9/20 0.40
FEN1 P39748 9/20 0.40
LRRK2 Q5S007 1/20 0.38
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
PTGS2 P35354 5/20 0.38
PTGS1 P23219 3/20 0.38
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
TGFBR1 P36897 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
SCHEMBL6749946 0.92 ALOX5AP (0.39) ALOX5APFEN1LRRK2NR1H2NR1H3
SCHEMBL6729428 0.88 FEN1 (0.41) ALOX5APFEN1LRRK2NR1H2NR1H3
SCHEMBL6742739 0.88 PTGS2 (0.50) ALOX5APFEN1PTGS2PTGS1TGFBR1
SCHEMBL6745215 0.88 FEN1 (0.45) ALOX5APFEN1PTGS2PTGS1TGFBR1
SCHEMBL6746256 0.86 ALOX5AP (0.41) ALOX5APFEN1PTGS2PTGS1TGFBR1
SCHEMBL6747322 0.86 PTGS2 (0.50) ALOX5APFEN1PTGS2PTGS1TGFBR1
SCHEMBL6836568 0.85 CA1 (0.43) LRRK2PTGS2PTGS1TGFBR1
SCHEMBL6743290 0.85 PTGS2 (0.53) ALOX5APFEN1PTGS2PTGS1SCN9A
SCHEMBL6745515 0.85 ALOX5AP (0.38) ALOX5APFEN1PTGS2PTGS1SCN5A
SCHEMBL6746038 0.84 ALOX5AP (0.41) ALOX5APFEN1PTGS2PTGS1TGFBR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US claimed
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US disclosed