SCHEMBL6743007

SCHEMBL6743007

Cc1cccc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)c(F)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 5/20 0.41
PTGS2 P35354 3/20 0.40
PTGS1 P23219 2/20 0.40
RPS6KA3 P51812 1/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
LRRK2 Q5S007 1/20 0.38
TGFBR1 P36897 1/20 0.37
ALOX5AP P20292 4/20 0.37
ADORA1 P30542 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.37
CSNK1D P48730 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
SCHEMBL6746652 0.90 CA1 (0.40) FEN1PTGS2PTGS1CA1CA2
SCHEMBL6744788 0.88 PTGS2 (0.48) FEN1PTGS2PTGS1CA1CA2
SCHEMBL6744241 0.88 FEN1 (0.43) FEN1PTGS2PTGS1CA1CA2
SCHEMBL6746864 0.86 FEN1 (0.42) FEN1PTGS2PTGS1CA1CA2
SCHEMBL6743148 0.86 PTGS2 (0.51) FEN1PTGS2PTGS1CA1CA2
SCHEMBL6747196 0.86 CA1 (0.43) FEN1PTGS2PTGS1CA1CA2
SCHEMBL6745954 0.86 PTGS2 (0.42) FEN1PTGS2PTGS1CA1CA2
SCHEMBL6722065 0.86 PTGS2 (0.43) FEN1PTGS2PTGS1RPS6KA3CA1
SCHEMBL6747351 0.85 FEN1 (0.41) FEN1PTGS2PTGS1CA1CA2
SCHEMBL6746016 0.85 RORB (0.43) FEN1PTGS2PTGS1CA1CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US disclosed