SCHEMBL4720087

SCHEMBL4720087

CCCOc1ccc(C(=O)N(Cc2ccc(NC(=O)c3ccccc3)cc2)NC(=O)NC)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ROCK2 O75116 2/20 0.45
KDR P35968 1/20 0.43
MCL1 Q07820 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MCHR1 Q99705 3/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL4722528 0.88 CENPE (0.53) MAPTMEN1KMT2APOLBTDP1
SCHEMBL4721352 0.85 L3MBTL1 (0.42) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL4719311 0.78 PPARG (0.42) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL4721152 0.77 CENPE (0.52) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4718072 0.75 CENPE (0.46) MEN1KMT2ATDP1KDM4EALDH1A1
SCHEMBL2104733 0.74 CENPE (0.56) MAPTMEN1KMT2APOLBTDP1
SCHEMBL4773750 0.74 MAPT (0.49) MAPTMEN1KMT2APOLBTDP1
SCHEMBL4720776 0.72 CENPE (0.44) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL4720908 0.71 MEN1 (0.47) MEN1KMT2AKDM4EHPGDRAB9A
SCHEMBL4521076 0.69 CENPE (0.47) MAPTMEN1KMT2AKDM4ELMNA

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