SCHEMBL6746792

SCHEMBL6746792

COc1cc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)cc2F)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.45
PTGS1 P23219 5/20 0.45
SCN9A Q15858 6/20 0.42
CYP2C9 P11712 1/20 0.41
DYRK1A Q13627 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.39
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL6746710 0.92 PTGS2 (0.55) PTGS2PTGS1SCN9APTGES2
SCHEMBL6723228 0.89 PTGS2 (0.45) PTGS2PTGS1SCN9ACYP2C9DYRK1A
SCHEMBL6745297 0.87 PTGES2 (0.45) PTGS2PTGS1SCN9APTGES2ALOX5AP
SCHEMBL6749686 0.86 PTGS2 (0.53) PTGS2PTGS1SCN9AALOX5APFEN1
SCHEMBL6836566 0.86 PTGS2 (0.50) PTGS2PTGS1SCN9ACYP2C9CA1
SCHEMBL6743290 0.84 PTGS2 (0.53) PTGS2PTGS1SCN9AALOX5APFEN1
SCHEMBL6746360 0.83 PTGS2 (0.46) PTGS2PTGS1SCN9ACYP2C9DYRK1A
SCHEMBL6746716 0.82 PTGS2 (0.43) PTGS2PTGS1ALOX5APFEN1CA1
SCHEMBL6749461 0.81 FEN1 (0.47) PTGS2PTGS1ALOX5APFEN1CA1
SCHEMBL7048176 0.81 KMO (0.45) PTGS2PTGS1SCN9ACYP2C9DYRK1A

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