SCHEMBL4720776

SCHEMBL4720776

CNC(=O)NN(Cc1ccc(Br)cc1)C(=O)c1ccc(OC(C)C)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 1/20 0.44
CSNK2A1 P68400 2/20 0.39
RORC P51449 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.37
S1PR1 P21453 2/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PPARD Q03181 1/20 0.35
P2RX3 P56373 2/20 0.35
KIFC1 Q9BW19 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
BLM P54132 1/20 0.35
MAP4K4 O95819 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
S1PR3 Q99500 1/20 0.35

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
SCHEMBL4721152 0.88 CENPE (0.52) CENPECSNK2A1RORCMEN1KMT2A
SCHEMBL4722528 0.85 CENPE (0.53) CENPERORCMEN1KMT2ALMNA
SCHEMBL4718072 0.84 CENPE (0.46) CENPEMEN1KMT2ATSHRKDM4E
SCHEMBL2104606 0.84 CENPE (0.48) CENPECSNK2A1RORCMEN1KMT2A
SCHEMBL4720908 0.80 MEN1 (0.47) CENPEMEN1KMT2AKDM4EBLM
SCHEMBL4720150 0.80 PTGES (0.46) CENPEKMT2ATSHRMAPTP2RX3
SCHEMBL4521076 0.80 CENPE (0.47) CENPECSNK2A1RORCMEN1KMT2A
SCHEMBL4719991 0.77 CENPE (0.48) CENPECSNK2A1RORCMEN1KMT2A
SCHEMBL4717871 0.77 CENPE (0.43) CENPE
SCHEMBL4720774 0.75 CENPE (0.47) CENPECSNK2A1RORCMEN1KMT2A

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