SCHEMBL6749869

SCHEMBL6749869

NS(=O)(=O)c1c(F)cc(-c2ncccc2-c2cccc(OC(F)(F)F)c2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.42
KCNA5 P22460 1/20 0.41
KCNH2 Q12809 1/20 0.41
PTGES2 Q9H7Z7 2/20 0.41
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE4C Q08493 1/20 0.39
DYRK1A Q13627 2/20 0.39
SYK P43405 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
NPY5R Q15761 1/20 0.39
CBFB Q13951 1/20 0.38
FEN1 P39748 1/20 0.38
GRM5 P41594 1/20 0.38
CTSD P07339 2/20 0.38
BACE1 P56817 2/20 0.38
BACE2 Q9Y5Z0 2/20 0.38

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
SCHEMBL6746673 0.89 PTGS2 (0.42) CBFBFEN1CTSDBACE1BACE2
SCHEMBL6722623 0.87 PTGES2 (0.44) DHODHKCNA5KCNH2PTGES2PDE4A
SCHEMBL6837644 0.85 PTGES2 (0.44) DHODHKCNA5KCNH2PTGES2DYRK1A
SCHEMBL6746734 0.83 LMNA (0.44) KCNA5KCNH2PTGES2PIM1FEN1
SCHEMBL6749848 0.83 PTGES2 (0.44) DHODHKCNA5KCNH2PTGES2PDE4A
SCHEMBL6839195 0.83 CA1 (0.43) DHODHKCNA5KCNH2PTGES2DYRK1A
SCHEMBL6744241 0.83 FEN1 (0.43) PIM1FEN1
SCHEMBL6746002 0.82 PTGS2 (0.41) FEN1TRPV1
SCHEMBL6747337 0.82 FEN1 (0.38) FEN1TRPV1
SCHEMBL6743148 0.81 PTGS2 (0.51) FEN1

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