SCHEMBL4071407

SCHEMBL4071407

CC(C)(C)[C@H](O)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1O

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.73
KCNH2 Q12809 15/20 0.73

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
SCHEMBL4061106 0.87 KIF11 (0.83) KIF11KCNH2
SCHEMBL4063798 0.87 KIF11 (0.83) KIF11KCNH2
SCHEMBL4245280 0.85 KIF11 (0.76) KIF11KCNH2
SCHEMBL4977392 0.85 KIF11 (0.64) KIF11KCNH2
SCHEMBL4062184 0.84 KIF11 (1.00) KIF11KCNH2
SCHEMBL4070109 0.79 KCNH2 (0.55) KIF11KCNH2
SCHEMBL6206955 0.79 KIF11 (0.88) KIF11KCNH2
SCHEMBL4689954 0.77 KIF11 (0.73) KIF11KCNH2
SCHEMBL4057988 0.76 KIF11 (1.00) KIF11KCNH2
SCHEMBL4057940 0.76 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 disclosed