SCHEMBL4720085

SCHEMBL4720085

CC(C)Oc1ccc(C(=O)NNC(=O)N(C)Cc2ccc(NC(=O)c3ccccc3)cc2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 1/20 0.54
ROCK2 O75116 2/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.44
PNLIP P16233 1/20 0.44
RORC P51449 1/20 0.43
MTOR P42345 1/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL4721149 0.90 CENPE (0.55) CENPEROCK2MEN1KMT2AKDM4E
SCHEMBL4718071 0.86 CENPE (0.49) CENPEMEN1KMT2AKDM4EPOLB
SCHEMBL4720774 0.85 CENPE (0.47) CENPEROCK2MEN1KMT2APOLB
SCHEMBL2104733 0.83 CENPE (0.56) CENPEROCK2MEN1KMT2AKDM4E
SCHEMBL4720907 0.82 TRPM8 (0.50) CENPEMEN1KMT2AKDM4EHPGD
SCHEMBL4720148 0.82 PTGES (0.52) CENPEMEN1KMT2APOLBHDAC1
SCHEMBL2104572 0.80 CENPE (0.62) CENPEROCK2MEN1KMT2AKDM4E
SCHEMBL2617141 0.79 CENPE (0.86) CENPEROCK2MEN1KMT2AKDM4E
SCHEMBL2103796 0.79 CENPE (0.62) CENPEROCK2MEN1KMT2AKDM4E
SCHEMBL4717868 0.78 HDAC3 (0.46) CENPEHDAC1HDAC8HDAC6

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 4 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 claimed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
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