SCHEMBL5299652

SCHEMBL5299652

O=CCN1N=C(c2cc(F)ccc2F)CC1c1cccc(O)c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 17/20 0.65
▸ KCNH2 Q12809 4/20 0.65
▸ CASP3 P42574 1/20 0.65
▸ PRKCZ Q05513 1/20 0.41
▸ MAOB P27338 1/20 0.40

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
SCHEMBL17151556 0.79 KIF11 (1.00) KIF11KCNH2CASP3MAOB
SCHEMBL3625650 0.79 KIF11 (1.00) KIF11KCNH2CASP3MAOB
SCHEMBL3624136 0.76 KIF11 (0.81) KIF11KCNH2CASP3
SCHEMBL3624129 0.76 KIF11 (0.68) KIF11KCNH2CASP3
SCHEMBL5672186 0.73 KIF11 (0.71) KIF11KCNH2CASP3
SCHEMBL3846014 0.69 KIF11 (0.78) KIF11KCNH2CASP3MAOB
SCHEMBL17323004 0.68 KIF11 (0.80) KIF11KCNH2CASP3MAOB
SCHEMBL3621249 0.68 KIF11 (0.80) KIF11KCNH2CASP3MAOB
SCHEMBL3616984 0.67 KIF11 (0.79) KIF11KCNH2CASP3MAOB
SCHEMBL3624174 0.67 KIF11 (1.00) KIF11KCNH2CASP3MAOB

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
WO-2007011759-A2 INHIBITORS OF MITOTIC KINESIN KALYPSYS, INC. (US) 2007-01-25 — — WO disclosed
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