SCHEMBL8974153

SCHEMBL8974153

COC(=O)C1C=C(c2ccc(C(F)(F)F)cc2)C(c2ccc(S(N)(=O)=O)nc2)=C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.40
CA2 P00918 3/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
MAPT P10636 1/20 0.38
CA9 Q16790 1/20 0.38
POLB P06746 1/20 0.37
PPARD Q03181 2/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRNA7 P36544 2/20 0.34
SCN10A Q9Y5Y9 2/20 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
SCHEMBL8973893 0.90 POLB (0.38) KIF11POLBPPARDPTGS2
SCHEMBL8974093 0.88 CA2 (0.44) CA2CA12CA1CA9PTGS1
SCHEMBL8974154 0.86 KIF11 (0.40) KIF11CA2CA12CA1MAPT
SCHEMBL8974201 0.85 KIF11 (0.57) KIF11CA2CA12CA1MAPT
SCHEMBL8974771 0.83 KCNH2 (0.42) KIF11CA2CA12CA1CA9
SCHEMBL8974144 0.83 KIF11 (0.44) KIF11CA2CA12CA1MAPT
SCHEMBL8973842 0.83 KIF11 (0.43) KIF11CA2CA12CA1MAPT
SCHEMBL8973763 0.82 POLB (0.41) KIF11CA2CA12CA1MAPT
SCHEMBL8973885 0.81 KIF11 (0.46) KIF11CA2CA12CA1MAPT
SCHEMBL8974295 0.80 KIF11 (0.43) KIF11CA2CA12CA1CA9

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