Sugi Predict

Sugi Predict / Compounds / SCHEMBL6206955

SCHEMBL6206955

SCHEMBL6206955

CC(C)(C)[C@H](O)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1.O=C([C@@H](O)C1CC1)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 20/20 0.88
▸ KCNH2 Q12809 15/20 0.88

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
SCHEMBL4062184 0.94 KIF11 (1.00) KIF11KCNH2
SCHEMBL4059946 0.93 KIF11 (1.00) KIF11KCNH2
SCHEMBL4061106 0.85 KIF11 (0.83) KIF11KCNH2
SCHEMBL4063798 0.85 KIF11 (0.83) KIF11KCNH2
SCHEMBL4059774 0.84 KIF11 (1.00) KIF11KCNH2
SCHEMBL4060252 0.84 KIF11 (1.00) KIF11KCNH2
SCHEMBL4057828 0.83 KIF11 (1.00) KIF11KCNH2
SCHEMBL4067959 0.81 KIF11 (0.75) KIF11KCNH2
SCHEMBL4062123 0.81 KIF11 (1.00) KIF11KCNH2
SCHEMBL4062117 0.81 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515724-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2005-08-17 — — EP claimed
EP-1515724-A1 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2005-03-23 — — EP claimed
WO-2003105855-A1 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-12-24 — — WO claimed