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SCHEMBL4749341

SCHEMBL4749341

Cc1c(F)cccc1[C@@H]1[C@@H](C(=O)c2cccc(O)c2)CN(CCCCN(C)C)C[C@H]1C(=O)c1ccccc1F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.35
▸ HTR7 P34969 6/20 0.35
▸ BCHE P06276 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KDR P35968 1/20 0.33
▸ HSP90B1 P14625 1/20 0.32
▸ TRAP1 Q12931 1/20 0.32

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
SCHEMBL4749343 1.00 KIF11 (0.35) KIF11HTR7BCHEKDM4EALDH1A1
SCHEMBL4749485 0.95 KIF11 (0.36) KIF11HTR7BCHEKDM4EALDH1A1
SCHEMBL4749489 0.95 KIF11 (0.36) KIF11HTR7BCHEKDM4EALDH1A1
SCHEMBL4025347 0.95 KIF11 (0.37) KIF11HTR7BCHEKDM4EALDH1A1
SCHEMBL4749456 0.94 KIF11 (0.39) KIF11HTR7BCHEKDM4EALDH1A1
SCHEMBL4749461 0.94 KIF11 (0.39) KIF11HTR7BCHEKDM4EALDH1A1
SCHEMBL4023151 0.94 HTR7 (0.37) KIF11HTR7BCHEKDM4EALDH1A1
SCHEMBL4019102 0.93 ACHE (0.37) KIF11HTR7BCHEKDM4EALDH1A1
SCHEMBL4751736 0.92 KIF11 (0.35) KIF11HTR7BCHEKDM4EALDH1A1
SCHEMBL4749505 0.92 KIF11 (0.35) KIF11HTR7BCHEKDM4EALDH1A1

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-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 — — WO disclosed