SCHEMBL8974199

SCHEMBL8974199

NS(=O)(=O)c1ccc(C2=CC(CF)(CF)C=C2c2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.48
PTGS2 P35354 8/20 0.42
PTGS1 P23219 3/20 0.42
CHRNA7 P36544 1/20 0.41
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
CYP2C9 P11712 1/20 0.38
PDPK1 O15530 1/20 0.38
CA2 P00918 3/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
GCK P35557 1/20 0.36
GCKR Q14397 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
DRD1 P21728 1/20 0.36
CCR6 P51684 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
SCHEMBL8974509 0.93 KIF11 (0.48) KIF11PTGS2PTGS1CHRNA7ALOX5AP
SCHEMBL9118758 0.90 KIF11 (0.47) KIF11PTGS2PTGS1CHRNA7ALOX5AP
SCHEMBL8974863 0.90 KIF11 (0.47) KIF11PTGS2PTGS1CHRNA7ALOX5AP
SCHEMBL8974588 0.89 PTGS2 (0.47) KIF11PTGS2PTGS1
SCHEMBL8974209 0.88 KIF11 (0.52) KIF11PTGS2PTGS1CHRNA7ALOX5AP
SCHEMBL8973766 0.87 KIF11 (0.64) KIF11PTGS2PTGS1CHRNA7CYP2C9
SCHEMBL8974073 0.86 KIF11 (0.50) KIF11PTGS2PTGS1CHRNA7ALOX5AP
SCHEMBL8974327 0.86 KIF11 (0.50) KIF11PTGS2PTGS1CHRNA7ALOX5AP
SCHEMBL9118118 0.85 KIF11 (0.49) KIF11PTGS2PTGS1CHRNA7ALOX5AP
SCHEMBL8974339 0.85 PTGS2 (0.44) PTGS2PTGS1CA2CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5576339-A Pyridyl substituted cyclopentadienes for the treatment of inflamation HUANG HORNG-CHIH (US) 1996-11-19 US disclosed
WO-1995030656-A1 SUBSTITUTED CYCLOPENTADIENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-11-16 WO disclosed
US-5418254-A Side effect reduction G. D. SEARLE & CO. (US) 1995-05-23 US disclosed