SCHEMBL8974776

SCHEMBL8974776

CS(=O)(=O)c1ccc(C2=CC(CF)C=C2c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.36
KIF11 P52732 4/20 0.36
PTGS2 P35354 4/20 0.36
POLB P06746 2/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
SLC22A12 Q96S37 1/20 0.35
PI4KB Q9UBF8 2/20 0.34
PIK3CD O00329 1/20 0.34
PIP5K1C O60331 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
MAP4K4 O95819 1/20 0.34
PIK3CA P42336 1/20 0.34
KCNH2 Q12809 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
CTSK P43235 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL8974076 0.90 POLB (0.38) PPARDKIF11PTGS2POLBALOX5AP
SCHEMBL8974223 0.89 POLB (0.37) PPARDKIF11PTGS2POLBALOX5AP
SCHEMBL8974834 0.88 KIF11 (0.41) PPARDKIF11PTGS2POLBALOX5AP
SCHEMBL8974451 0.86 CDK9 (0.37) PTGS2PI4KBPIK3CDPIP5K1CPIK3CB
SCHEMBL8974150 0.86 ALOX5AP (0.40) KIF11PTGS2POLBALOX5APFEN1
SCHEMBL8974593 0.85 KIF11 (0.38) KIF11PTGS2POLBALOX5APFEN1
SCHEMBL8974707 0.82 PPARD (0.38) PPARDKIF11PTGS2POLBALOX5AP
SCHEMBL8974423 0.82 PTGS2 (0.54) KIF11PTGS2
SCHEMBL9119094 0.81 POLB (0.38) KIF11PTGS2POLBALOX5APFEN1
SCHEMBL8973758 0.80 PTGS2 (0.41) PTGS2LOXL2

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