SCHEMBL6745954

SCHEMBL6745954

Cc1cncc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)c(F)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.42
PTGS1 P23219 3/20 0.39
FEN1 P39748 8/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
APLNR P35414 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALOX5AP P20292 7/20 0.36
TDO2 P48775 1/20 0.34

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
SCHEMBL6746652 0.88 CA1 (0.40) PTGS2PTGS1FEN1CA1CA2
SCHEMBL6729023 0.86 PTGS2 (0.43) PTGS2PTGS1FEN1CYP11B1CYP11B2
SCHEMBL6743007 0.86 FEN1 (0.41) PTGS2PTGS1FEN1CA1CA2
SCHEMBL6744788 0.85 PTGS2 (0.48) PTGS2PTGS1FEN1CA1CA2
SCHEMBL6746820 0.85 PTGS2 (0.51) PTGS2PTGS1FEN1CA1CA2
SCHEMBL6833662 0.84 PTGS2 (0.43) PTGS2PTGS1CA1CA2APLNR
SCHEMBL6747196 0.84 CA1 (0.43) PTGS2PTGS1FEN1CA1CA2
SCHEMBL6746864 0.82 FEN1 (0.42) PTGS2PTGS1FEN1CA1CA2
SCHEMBL6750085 0.82 ALOX5AP (0.39) PTGS2PTGS1FEN1CA1CA2
SCHEMBL6838591 0.82 CA1 (0.46) PTGS2PTGS1CA1CA2

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