SCHEMBL8974201

SCHEMBL8974201

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.57
CA2 P00918 9/20 0.52
CA12 O43570 8/20 0.52
CA1 P00915 8/20 0.52
CA9 Q16790 7/20 0.52
MAPT P10636 1/20 0.52
PTGS2 P35354 7/20 0.49
PTGS1 P23219 3/20 0.49
CA14 Q9ULX7 2/20 0.46
CA7 P43166 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHRNA7 P36544 1/20 0.43
CYP2C9 P11712 1/20 0.42
CA4 P22748 1/20 0.41

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
SCHEMBL8974119 0.90 PTGS2 (0.49) KIF11PTGS2
SCHEMBL8973885 0.88 KIF11 (0.46) KIF11CA2CA12CA1CA9
SCHEMBL8974144 0.88 KIF11 (0.44) KIF11CA2CA12CA1CA9
SCHEMBL8974771 0.85 KCNH2 (0.42) KIF11CA2CA12CA1CA9
SCHEMBL8974090 0.85 KIF11 (0.62) KIF11CA2CA12CA1CA9
SCHEMBL8973831 0.85 PTGS2 (0.50) CA2CA12CA1CA9PTGS2
SCHEMBL8974153 0.85 KIF11 (0.40) KIF11CA2CA12CA1CA9
SCHEMBL8974718 0.81 PTGS2 (0.39) KIF11PTGS2PTGS1
SCHEMBL8973917 0.81 KIF11 (0.68) KIF11CA2CA12CA1CA9
SCHEMBL8973781 0.81 KIF11 (0.59) 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