SCHEMBL8974191

SCHEMBL8974191

CS(=O)(=O)c1ccc(C2=CCC=C2c2ccc(C(F)(F)F)c(C(F)(F)F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.55
PTGS2 P35354 14/20 0.50
PTGS1 P23219 5/20 0.40
NR1H2 P55055 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIK3CA P42336 1/20 0.38
KCNH2 Q12809 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL8973748 0.89 KIF11 (0.72) KIF11PTGS2PTGS1
SCHEMBL8973743 0.89 KIF11 (0.52) KIF11PTGS2PTGS1NR1H2
SCHEMBL8974287 0.89 KIF11 (0.56) KIF11PTGS2PTGS1
SCHEMBL8973789 0.89 KIF11 (0.49) KIF11PTGS2PTGS1NR1H2
SCHEMBL8974589 0.88 KIF11 (0.51) KIF11PTGS2PTGS1
SCHEMBL8974249 0.88 PTGS2 (0.57) KIF11PTGS2PTGS1
SCHEMBL8974584 0.86 KIF11 (0.55) KIF11PTGS2PTGS1
SCHEMBL8974106 0.85 PTGS2 (0.48) KIF11PTGS2PTGS1
SCHEMBL9118004 0.82 PTGS2 (0.64) KIF11PTGS2PTGS1NR1H2RORC
SCHEMBL8974375 0.82 PTGS2 (0.63) KIF11PTGS2PTGS1

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