SCHEMBL13655756

SCHEMBL13655756

CC(C)(C)CC(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.75
KCNH2 Q12809 14/20 0.71

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
SCHEMBL4057827 0.86 KIF11 (0.73) KIF11KCNH2
SCHEMBL4057279 0.86 KIF11 (0.73) KIF11KCNH2
SCHEMBL4063874 0.86 KIF11 (1.00) KIF11KCNH2
SCHEMBL4062594 0.85 KIF11 (0.72) KIF11KCNH2
SCHEMBL4066886 0.85 KIF11 (0.85) KIF11KCNH2
SCHEMBL4065625 0.84 KIF11 (1.00) KIF11KCNH2
SCHEMBL4059858 0.84 KIF11 (0.71) KIF11KCNH2
SCHEMBL5181900 0.84 KIF11 (0.82) KIF11KCNH2
SCHEMBL4063414 0.84 KIF11 (0.82) KIF11KCNH2
SCHEMBL4060294 0.84 KIF11 (0.84) 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