SCHEMBL6744800

SCHEMBL6744800

Cc1cccc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)cc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 7/20 0.40
ALOX5AP P20292 6/20 0.40
PTGES2 Q9H7Z7 2/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
SCN9A Q15858 1/20 0.37
PTGS2 P35354 2/20 0.37
LRRK2 Q5S007 1/20 0.37
PTGS1 P23219 1/20 0.36
RPS6KA3 P51812 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
TGFBR1 P36897 1/20 0.36

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
SCHEMBL6744782 0.91 CA1 (0.39) FEN1ALOX5APCA1CA2PTGS2
SCHEMBL6747071 0.88 FEN1 (0.44) FEN1ALOX5APPTGES2CA1CA2
SCHEMBL6749867 0.88 PTGS2 (0.49) FEN1ALOX5APCA1CA2PTGS2
SCHEMBL6750040 0.87 PTGS2 (0.46) FEN1ALOX5APPTGES2CA1CA2
SCHEMBL6750085 0.86 ALOX5AP (0.39) FEN1ALOX5APCA1CA2PTGS2
SCHEMBL6743644 0.86 NPC1 (0.44) FEN1ALOX5APCA1CA2SCN9A
SCHEMBL6745215 0.86 FEN1 (0.45) FEN1ALOX5APPTGS2PTGS1TGFBR1
SCHEMBL6746036 0.86 FEN1 (0.40) FEN1ALOX5APPTGES2CA1CA2
SCHEMBL6747322 0.86 PTGS2 (0.50) FEN1ALOX5APCA1CA2PTGS2
SCHEMBL6722065 0.86 PTGS2 (0.43) FEN1ALOX5APPTGES2CA1CA2

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