SCHEMBL4717871

SCHEMBL4717871

CNC(=O)NN(Cc1ccc2nc(-c3ccccc3)[nH]c2c1)C(=O)c1ccc(OC(C)C)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 1/20 0.43
CHEK2 O96017 9/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC2 Q92769 1/20 0.42
SCD O00767 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.38

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
SCHEMBL2617481 0.88 CHEK2 (0.47) CENPECHEK2HDAC6HDAC3HDAC1
SCHEMBL4721152 0.84 CENPE (0.52) CENPE
SCHEMBL2107051 0.81 CENPE (0.47) CENPECHEK2HDAC6HDAC3HDAC1
SCHEMBL4717868 0.81 HDAC3 (0.46) CENPECHEK2HDAC6HDAC3HDAC1
SCHEMBL2617484 0.79 HPSE (0.46) CENPECHEK2HDAC6HDAC3HDAC1
SCHEMBL4722528 0.78 CENPE (0.53) CENPEHDAC6HDAC1HDAC8
SCHEMBL4718072 0.77 CENPE (0.46) CENPE
SCHEMBL4720776 0.77 CENPE (0.44) CENPE
SCHEMBL4720908 0.77 MEN1 (0.47) CENPEHDAC1HDAC2
SCHEMBL4521076 0.77 CENPE (0.47) CENPE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 EP disclosed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed