SCHEMBL9116580

SCHEMBL9116580

CS(=O)(=O)c1ccc(C2=CCC=C2Cc2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.39
PPARD Q03181 3/20 0.36
PTGS2 P35354 4/20 0.36
CTSK P43235 1/20 0.35
LTA4H P09960 1/20 0.34
RORC P51449 1/20 0.34
LOXL2 Q9Y4K0 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
POLB P06746 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
SLC22A12 Q96S37 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
SCHEMBL9119044 0.90 KIF11 (0.38) KIF11PPARDPTGS2CTSKRORC
SCHEMBL9116165 0.89 KIF11 (0.44) KIF11PPARDPTGS2LTA4HALOX5AP
SCHEMBL8974709 0.86 PTGS2 (0.42) KIF11PTGS2CTSKLOXL2ALOX5AP
SCHEMBL8975024 0.81 PTGS2 (0.38) KIF11PTGS2CTSKLOXL2ALOX5AP
SCHEMBL9117083 0.79 KIF11 (0.43) KIF11PTGS2ALOX5APFEN1
SCHEMBL9117872 0.77 HTR2A (0.45) PTGS2CTSKRORC
SCHEMBL9116856 0.76 HTR2A (0.38) PTGS2
SCHEMBL8974062 0.73 KIF11 (0.45) KIF11PTGS2ALOX5APFEN1
SCHEMBL9118890 0.73 PTGS2 (0.48) KIF11PTGS2CTSKALOX5APFEN1
SCHEMBL8973745 0.72 POLB (0.39) KIF11PTGS2CTSKLOXL2ALOX5AP

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 1 patent. 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 disclosed