SCHEMBL6749946

SCHEMBL6749946

Cc1cc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)cc2F)ccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 10/20 0.39
FEN1 P39748 10/20 0.39
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
PTGS2 P35354 5/20 0.38
PTGS1 P23219 3/20 0.38
KIF11 P52732 1/20 0.37
LRRK2 Q5S007 1/20 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
SCHEMBL6745117 0.92 ALOX5AP (0.40) ALOX5APFEN1NR1H2NR1H3PTGS2
SCHEMBL6730163 0.88 PTGS1 (0.40) ALOX5APFEN1NR1H2NR1H3PTGS2
SCHEMBL6747322 0.88 PTGS2 (0.50) ALOX5APFEN1PTGS2PTGS1
SCHEMBL6742739 0.88 PTGS2 (0.50) ALOX5APFEN1PTGS2PTGS1
SCHEMBL6746038 0.86 ALOX5AP (0.41) ALOX5APFEN1PTGS2PTGS1
SCHEMBL6745215 0.86 FEN1 (0.45) ALOX5APFEN1PTGS2PTGS1
SCHEMBL6840854 0.85 PTGS2 (0.46) PTGS2PTGS1KIF11LRRK2
SCHEMBL6749686 0.85 PTGS2 (0.53) ALOX5APFEN1PTGS2PTGS1
SCHEMBL6747090 0.85 PTGS2 (0.42) ALOX5APFEN1PTGS2PTGS1
SCHEMBL6746256 0.84 ALOX5AP (0.41) ALOX5APFEN1PTGS2PTGS1

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