SCHEMBL6749945

SCHEMBL6749945

Cc1nc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)cc2F)cs1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.43
PTGES2 Q9H7Z7 1/20 0.39
ALOX5AP P20292 5/20 0.38
FEN1 P39748 5/20 0.38
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
GAA P10253 1/20 0.35
PTGS2 P35354 1/20 0.35
HTT P42858 1/20 0.34
VSIR Q9H7M9 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
KDM4A O75164 1/20 0.34
KDM4B O94953 1/20 0.34
KDM5C P41229 1/20 0.34
KDM5B Q9UGL1 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
SCHEMBL6718990 0.86 SCN9A (0.44) SCN9APTGES2ALOX5APFEN1GAA
SCHEMBL6834757 0.85 CA1 (0.45) SCN9APTGES2CA1CA2PTGS2
SCHEMBL6744930 0.83 TGFBR1 (0.39) ALOX5APFEN1CA1CA2GAA
SCHEMBL6746037 0.82 ALOX5AP (0.44) ALOX5APFEN1CA1CA2GAA
SCHEMBL6746699 0.82 TGFBR1 (0.43) ALOX5APFEN1CA1CA2PTGS2
SCHEMBL6749607 0.81 SCN9A (0.40) SCN9APTGES2ALOX5APFEN1CA1
SCHEMBL6749867 0.78 PTGS2 (0.49) ALOX5APFEN1CA1CA2PTGS2
SCHEMBL6744782 0.78 CA1 (0.39) ALOX5APFEN1CA1CA2PTGS2
SCHEMBL7045462 0.78 SCN9A (0.45) SCN9AALOX5APFEN1PTGS2HTT
SCHEMBL6841185 0.77 PTGES2 (0.41) SCN9APTGES2CA1CA2GAA

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