SCHEMBL16899685

SCHEMBL16899685

Cc1c(C(=O)O)cc(Br)c2ccn(C(C)C)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 3/20 0.35
NR4A1 P22736 1/20 0.33
EPRS1 P07814 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
HCAR3 P49019 1/20 0.31
EZH2 Q15910 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
NPC1 O15118 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
GAA P10253 2/20 0.31
ALDH1A1 P00352 3/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30

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
SCHEMBL16899449 0.77 CYP19A1 (0.39) MYCNR4A1EPRS1MEN1KMT2A
SCHEMBL16899455 0.73 NOTUM (0.33) MYCNR4A1EPRS1
SCHEMBL2592220 0.73 HAAO (0.38) MYCKDM4EHCAR3EZH2ALDH1A1
SCHEMBL2594898 0.71 NR4A1 (0.38) MYCNR4A1MEN1KMT2AKDM4E
SCHEMBL21438922 0.71 HCAR3 (0.41) KDM4EHCAR3CA12CA1CA2
SCHEMBL17970548 0.70 KDM4A (0.41) MYCKDM4EALDH1A1CA12CA1
SCHEMBL14727054 0.69 EZH2 (0.40) MYCKDM4EHCAR3EZH2GAA
SCHEMBL22939471 0.68 TTR (0.41) NR4A1MEN1KMT2AKDM4EHCAR3
SCHEMBL30500734 0.68 NOTUM (0.50) MYCNR4A1MEN1KMT2AKDM4E
SCHEMBL2594989 0.67 MAPT (0.43) MYCKMT2AKDM4ETDP1GAA

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-2015104677-A1 HETEROCYCLIC COMPOUNDS AS EZH2 INHIBITORS Piramal Enterprises Limited (IN) 2015-07-16 WO disclosed