SCHEMBL16627652

SCHEMBL16627652

O=c1[nH]c2cccc(Br)c2cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
PARP1 P09874 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
TNKS O95271 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
GPR3 P46089 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
KMT2A Q03164 1/20 0.45
PARP15 Q460N3 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
FLT3 P36888 1/20 0.44
AHR P35869 1/20 0.44
DAO P14920 4/20 0.43
DDO Q99489 3/20 0.43
HRH4 Q9H3N8 1/20 0.43
GRIN2D O15399 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
SCHEMBL29471220 0.83 BRD4 (0.53) KDM4EPARP1ALDH1A1MEN1TNKS
SCHEMBL26551030 0.83 BRD4 (0.53) KDM4EPARP1ALDH1A1MEN1TNKS
SCHEMBL15690473 0.83 DAO (0.65) KDM4EPARP1ALDH1A1MEN1TNKS
SCHEMBL30480858 0.80 DAO (0.54) KDM4EPARP1ALDH1A1MEN1TNKS
SCHEMBL12277902 0.79 MEN1 (0.62) KDM4EPARP1ALDH1A1MEN1TNKS
SCHEMBL15690324 0.79 GRIN2D (0.51) KDM4EALDH1A1MEN1CYP1A2KMT2A
SCHEMBL30480899 0.78 GRIK1 (0.47) KDM4EPARP1ALDH1A1MEN1LMNA
SCHEMBL709815 0.73 PDE3B (0.52) KDM4EPARP1ALDH1A1LMNACYP1A2
SCHEMBL29594580 0.73 PDE3B (0.52) KDM4EPARP1ALDH1A1LMNACYP1A2
SCHEMBL470317 0.73 AHR (0.45) KDM4EPARP1ALDH1A1GPR3HSD17B10

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-2015050379-A1 NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF 광주과학기술원 2015-04-09 WO disclosed