SCHEMBL8974150

SCHEMBL8974150

CC1C=C(c2ccc(C(F)(F)F)cc2)C(c2ccc(S(C)(=O)=O)nc2)=C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
KIF11 P52732 5/20 0.38
PTGS2 P35354 4/20 0.38
SLC22A12 Q96S37 1/20 0.37
POLB P06746 3/20 0.36
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 0.34
CYP11B2 P19099 1/20 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
SCHEMBL8974593 0.88 KIF11 (0.38) ALOX5APFEN1KIF11PTGS2SLC22A12
SCHEMBL8973842 0.88 KIF11 (0.43) ALOX5APFEN1KIF11PTGS2POLB
SCHEMBL8974776 0.86 PPARD (0.36) ALOX5APFEN1KIF11PTGS2SLC22A12
SCHEMBL8974076 0.86 POLB (0.38) ALOX5APFEN1KIF11PTGS2SLC22A12
SCHEMBL8974707 0.85 PPARD (0.38) ALOX5APFEN1KIF11PTGS2SLC22A12
SCHEMBL8974223 0.85 POLB (0.37) ALOX5APFEN1KIF11PTGS2SLC22A12
SCHEMBL8973732 0.85 PTGS2 (0.40) PTGS2PI4KBKCNH2PIK3CDPIP5K1C
SCHEMBL8974709 0.83 PTGS2 (0.42) ALOX5APFEN1KIF11PTGS2SLC22A12
SCHEMBL8973893 0.82 POLB (0.38) ALOX5APFEN1KIF11PTGS2SLC22A12
SCHEMBL8973745 0.82 POLB (0.39) ALOX5APFEN1KIF11PTGS2SLC22A12

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