SCHEMBL6749607

SCHEMBL6749607

Cc1nc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)c(F)c2)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.40
PTGES2 Q9H7Z7 1/20 0.38
ALOX5AP P20292 3/20 0.37
FEN1 P39748 3/20 0.37
HTT P42858 2/20 0.37
RECQL P46063 2/20 0.37
TSHR P16473 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PDE4A P27815 1/20 0.36
GFER P55789 1/20 0.35
PTGS2 P35354 1/20 0.35
BLM P54132 1/20 0.35
TGFBR1 P36897 1/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 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
SCHEMBL6718990 0.87 SCN9A (0.44) SCN9APTGES2ALOX5APFEN1RECQL
SCHEMBL6841185 0.85 PTGES2 (0.41) SCN9APTGES2HTTRECQLTSHR
SCHEMBL6750007 0.83 TGFBR1 (0.42) ALOX5APFEN1CA1CA2PTGS2
SCHEMBL6747196 0.82 CA1 (0.43) ALOX5APFEN1CA1CA2PTGS2
SCHEMBL6746438 0.82 TGFBR1 (0.47) ALOX5APFEN1CA1CA2TGFBR1
SCHEMBL6749945 0.81 SCN9A (0.43) SCN9APTGES2ALOX5APFEN1HTT
SCHEMBL7045462 0.81 SCN9A (0.45) SCN9AALOX5APFEN1HTTPTGS2
SCHEMBL6834757 0.81 CA1 (0.45) SCN9APTGES2CA1CA2PTGS2
SCHEMBL6720109 0.80 SCN9A (0.39) SCN9AALOX5APFEN1HTTPDE4A
SCHEMBL6746652 0.79 CA1 (0.40) ALOX5APFEN1CA1CA2PTGS2

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