SCHEMBL6746037

SCHEMBL6746037

Cc1ncccc1-c1cccnc1-c1cc(F)c(S(N)(=O)=O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.44
FEN1 P39748 5/20 0.44
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGS2 P35354 3/20 0.39
PTGS1 P23219 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
CTSL P07711 1/20 0.37
PTPRC P08575 1/20 0.37
CTSS P25774 1/20 0.37
PTPN13 Q12923 1/20 0.37
MAPK1 P28482 1/20 0.37
CA9 Q16790 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37

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
SCHEMBL6749867 0.87 PTGS2 (0.49) ALOX5APFEN1CA1CA2PTGS2
SCHEMBL6744782 0.87 CA1 (0.39) ALOX5APFEN1CA1CA2PTGS2
SCHEMBL6750040 0.85 PTGS2 (0.46) ALOX5APFEN1CA1CA2PTGS2
SCHEMBL6747322 0.85 PTGS2 (0.50) ALOX5APFEN1CA1CA2PTGS2
SCHEMBL6744800 0.85 FEN1 (0.40) ALOX5APFEN1CA1CA2PTGS2
SCHEMBL6742739 0.85 PTGS2 (0.50) ALOX5APFEN1PTGS2PTGS1
SCHEMBL6745215 0.85 FEN1 (0.45) ALOX5APFEN1PTGS2PTGS1
SCHEMBL6746699 0.84 TGFBR1 (0.43) ALOX5APFEN1CA1CA2PTGS2
SCHEMBL6749919 0.84 PTGS2 (0.47) ALOX5APFEN1CA1CA2PTGS2
SCHEMBL6746459 0.84 CA1 (0.40) ALOX5APFEN1CA1CA2MEN1

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