SCHEMBL8974352

SCHEMBL8974352

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
PTGS2 P35354 5/20 0.38
KIF11 P52732 3/20 0.38
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
SLC22A12 Q96S37 1/20 0.36
CTSK P43235 1/20 0.36
PI4KB Q9UBF8 2/20 0.35
KCNH2 Q12809 2/20 0.35
PIK3CD O00329 1/20 0.35
PIP5K1C O60331 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIK3CA P42336 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.34

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
SCHEMBL8973745 0.88 POLB (0.39) POLBPTGS2KIF11ALOX5APFEN1
SCHEMBL8974415 0.88 PTGS2 (0.44) PTGS2CTSKPI4KBPIK3CDPIP5K1C
SCHEMBL9117847 0.88 POLB (0.40) POLBKIF11KCNH2
SCHEMBL9131829 0.87 KIF11 (0.43) POLBPTGS2KIF11ALOX5APFEN1
SCHEMBL9118890 0.86 PTGS2 (0.48) POLBPTGS2KIF11ALOX5APFEN1
SCHEMBL8974615 0.85 POLB (0.40) POLBPTGS2KIF11ALOX5APFEN1
SCHEMBL9119094 0.85 POLB (0.38) POLBPTGS2KIF11ALOX5APFEN1
SCHEMBL8974115 0.84 POLB (0.40) POLBPTGS2KIF11ALOX5APFEN1
SCHEMBL8974809 0.84 PTGS2 (0.40) POLBPTGS2ALOX5APFEN1SLC22A12
SCHEMBL9118159 0.84 PTGS2 (0.43) POLBPTGS2KIF11ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995030656-A1 SUBSTITUTED CYCLOPENTADIENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-11-16 WO claimed
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