SCHEMBL8974710

SCHEMBL8974710

CS(=O)(=O)c1ccc(C2=CC(F)C=C2c2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.44
KIF11 P52732 2/20 0.41
PTGS1 P23219 3/20 0.39
STAT3 P40763 1/20 0.39
LOXL2 Q9Y4K0 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
SCHEMBL8974463 0.93 KIF11 (0.46) PTGS2KIF11PTGS1
SCHEMBL8974815 0.90 PTGS2 (0.44) PTGS2KIF11PTGS1LOXL2
SCHEMBL8973839 0.89 PTGS2 (0.43) PTGS2KIF11PTGS1LOXL2
SCHEMBL8974121 0.88 KIF11 (0.51) PTGS2KIF11PTGS1
SCHEMBL8973758 0.87 PTGS2 (0.41) PTGS2PTGS1STAT3LOXL2
SCHEMBL8974124 0.86 PTGS2 (0.41) PTGS2PTGS1STAT3
SCHEMBL8974636 0.86 PTGS2 (0.42) PTGS2PTGS1STAT3LOXL2
SCHEMBL8974208 0.86 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL8973791 0.86 PTGS2 (0.57) PTGS2KIF11PTGS1
SCHEMBL8974718 0.83 PTGS2 (0.39) PTGS2KIF11PTGS1STAT3

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 2 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
US-5418254-A Side effect reduction G. D. SEARLE & CO. (US) 1995-05-23 US disclosed