SCHEMBL6743255

SCHEMBL6743255

CS(=O)(=O)c1c(F)cc(C2=CCC=C2c2ccc(OC(F)(F)F)cc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.44
PTGS2 P35354 5/20 0.43
PTGS1 P23219 1/20 0.36
ABL1 P00519 2/20 0.35
BCR P11274 2/20 0.35
DHODH Q02127 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
CNR1 P21554 1/20 0.35
SCN9A Q15858 2/20 0.34
SCN5A Q14524 1/20 0.34
AURKA O14965 1/20 0.33
TPX2 Q9ULW0 1/20 0.33
GALR1 P47211 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
RORC P51449 1/20 0.32

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
SCHEMBL6746020 0.86 DHODH (0.39) DHODHSCN9AGALR1
SCHEMBL6747092 0.83 KIF11 (0.33) KIF11PTGS2PTGS1
SCHEMBL6746687 0.83 PTGS2 (0.39) KIF11PTGS2PTGS1FFAR4SCN5A
SCHEMBL6746478 0.83 PTGS2 (0.43) KIF11PTGS2
SCHEMBL6743712 0.82 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6744935 0.82 PTGS2 (0.36) KIF11PTGS2PTGS1
SCHEMBL6746753 0.81 PTGS2 (0.45) KIF11PTGS2PTGS1
SCHEMBL6744681 0.81 PTGS2 (0.40) KIF11PTGS2PTGS1ABL1BCR
SCHEMBL6746439 0.80 CASP1 (0.39) KIF11PTGS2PTGS1
SCHEMBL6745120 0.79 ACLY (0.35) PTGS2PTGS1

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