SCHEMBL16627870

SCHEMBL16627870

O=c1[nH]c2ccccc2cc1NCc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 3/20 0.43
BRD4 O60885 1/20 0.43
DAO P14920 1/20 0.43
DDO Q99489 1/20 0.43
CDC25B P30305 1/20 0.42
GAA P10253 1/20 0.41
HIF1A Q16665 1/20 0.41
CHEK1 O14757 1/20 0.41
KDR P35968 1/20 0.41
CNR1 P21554 2/20 0.40
NPC1 O15118 1/20 0.39
IL4I1 Q96RQ9 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL16627872 0.86 CNR1 (0.52) KDM4EALDH1A1HPGDMAPTBRD4
SCHEMBL16627873 0.86 IDH1 (0.46) KDM4EALDH1A1HPGDMAPTBRD4
SCHEMBL16627871 0.86 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTBRD4
SCHEMBL16627733 0.84 MAPT (0.45) KDM4EALDH1A1HPGDMAPTBRD4
SCHEMBL16627734 0.77 MEN1 (0.58) KDM4EALDH1A1HPGDKDRNPC1
SCHEMBL16627856 0.76 BRD4 (0.54) KDM4EALDH1A1HPGDMAPTBRD4
SCHEMBL24851784 0.75 IL4I1 (0.60) KDM4EALDH1A1HPGDBRD4DAO
SCHEMBL16627809 0.74 BRD4 (0.51) DRD2DRD3KDM4EALDH1A1HPGD
SCHEMBL16627807 0.73 MEN1 (0.52) KDM4EALDH1A1HPGDMAPTBRD4
SCHEMBL1772475 0.72 BRD4 (0.46) KDM4EALDH1A1HPGDMAPTBRD4

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