SCHEMBL4062599

SCHEMBL4062599

CC(C)(CO)CC(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 20/20 0.72
KCNH2 Q12809 15/20 0.72

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
SCHEMBL4059157 0.84 KIF11 (1.00) KIF11KCNH2
SCHEMBL14277494 0.84 KIF11 (1.00) KIF11KCNH2
SCHEMBL4067206 0.83 KIF11 (0.86) KIF11KCNH2
SCHEMBL4061922 0.82 KIF11 (0.85) KIF11KCNH2
SCHEMBL13655756 0.82 KIF11 (0.75) KIF11KCNH2
SCHEMBL4062184 0.81 KIF11 (1.00) KIF11KCNH2
SCHEMBL4057497 0.80 KIF11 (1.00) KIF11KCNH2
SCHEMBL4063819 0.80 KIF11 (1.00) KIF11KCNH2
SCHEMBL13656045 0.79 KIF11 (1.00) KIF11KCNH2
SCHEMBL4062123 0.77 KIF11 (1.00) KIF11KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515724-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-10-21 EP claimed