SCHEMBL6746002

SCHEMBL6746002

Cc1cc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)c(F)c2)ccc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.41
PTGS1 P23219 7/20 0.41
FEN1 P39748 4/20 0.38
ALOX5AP P20292 3/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
SCN9A Q15858 1/20 0.36
KMO O15229 1/20 0.36
GRM2 Q14416 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TGFBR1 P36897 1/20 0.35
SCN5A Q14524 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
SCHEMBL6747337 0.92 FEN1 (0.38) PTGS2PTGS1FEN1ALOX5APTRPV1
SCHEMBL7046168 0.89 PTGS1 (0.40) PTGS2PTGS1FEN1ALOX5APFFAR1
SCHEMBL6838659 0.86 PTGS2 (0.42) PTGS2PTGS1FFAR1FFAR4GRM2
SCHEMBL6747442 0.85 PTGS2 (0.49) PTGS2PTGS1FEN1ALOX5APKMO
SCHEMBL6744631 0.85 PTGS2 (0.49) PTGS2PTGS1FEN1ALOX5APKMO
SCHEMBL6743767 0.84 KIF11 (0.41) PTGS2PTGS1FEN1ALOX5APSCN9A
SCHEMBL6836328 0.84 PTGS2 (0.47) PTGS2PTGS1FFAR1FFAR4SCN9A
SCHEMBL6747090 0.84 PTGS2 (0.42) PTGS2PTGS1FEN1ALOX5APFFAR1
SCHEMBL6746673 0.84 PTGS2 (0.42) PTGS2PTGS1FEN1ALOX5APTRPV1
SCHEMBL7044152 0.84 PTGS2 (0.40) PTGS2PTGS1FEN1ALOX5APFFAR1

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