SCHEMBL8974709

SCHEMBL8974709

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.42
KIF11 P52732 4/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
POLB P06746 3/20 0.37
PI4KB Q9UBF8 2/20 0.36
KCNH2 Q12809 2/20 0.36
PIK3CD O00329 1/20 0.36
PIP5K1C O60331 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
MAP4K4 O95819 1/20 0.36
PIK3CA P42336 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL8975024 0.89 PTGS2 (0.38) PTGS2KIF11ALOX5APFEN1SLC22A12
SCHEMBL8974062 0.86 KIF11 (0.45) PTGS2KIF11ALOX5APFEN1
SCHEMBL9116580 0.86 KIF11 (0.39) PTGS2KIF11ALOX5APFEN1SLC22A12
SCHEMBL9119044 0.85 KIF11 (0.38) PTGS2KIF11ALOX5APFEN1POLB
SCHEMBL8974182 0.85 PTGS2 (0.41) PTGS2PI4KBKCNH2PIK3CDPIP5K1C
SCHEMBL9118890 0.83 PTGS2 (0.48) PTGS2KIF11ALOX5APFEN1SLC22A12
SCHEMBL8973871 0.83 RORC (0.41) PTGS2PI4KBPIK3CDPIP5K1CPIK3CB
SCHEMBL8974374 0.83 PIK3CD (0.39) PTGS2ALOX5APPI4KBPIK3CDPIP5K1C
SCHEMBL8973745 0.83 POLB (0.39) PTGS2KIF11ALOX5APFEN1SLC22A12
SCHEMBL8974150 0.83 ALOX5AP (0.40) PTGS2KIF11ALOX5APFEN1SLC22A12

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