SCHEMBL16627634

SCHEMBL16627634

O=c1[nH]c2ccccc2cc1Nc1ccc(CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.46
DDO Q99489 1/20 0.46
BRD4 O60885 1/20 0.43
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
HIF1A Q16665 1/20 0.41
KDR P35968 2/20 0.41
CHEK1 O14757 1/20 0.41
HPGD P15428 1/20 0.41
PYGM P11217 1/20 0.40
MAPK1 P28482 2/20 0.39
IL4I1 Q96RQ9 3/20 0.39
NHERF1 O14745 1/20 0.39
PYGL P06737 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CDK1 P06493 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL16627633 0.86 BRD4 (0.46) DAODDOBRD4KDM4EALDH1A1
SCHEMBL16627647 0.84 DAO (0.54) DAODDOBRD4KDM4EALDH1A1
SCHEMBL16627639 0.84 PYGM (0.55) DAODDOBRD4KDM4EALDH1A1
SCHEMBL16627659 0.81 BRD4 (0.58) DAODDOBRD4KDM4EALDH1A1
SCHEMBL16627640 0.80 BRD4 (0.45) DAODDOBRD4KDM4EALDH1A1
SCHEMBL16627732 0.79 DAO (0.55) DAODDOBRD4KDM4EALDH1A1
SCHEMBL16627631 0.78 BRD4 (0.43) DAODDOBRD4KDM4EALDH1A1
SCHEMBL16627660 0.77 HPGD (0.50) BRD4KDM4EGAAMAPTHPGD
SCHEMBL16627731 0.76 BRD4 (0.55) DAODDOBRD4KDM4EALDH1A1
SCHEMBL12909532 0.71 BRD4 (0.59) DAODDOBRD4KDM4EALDH1A1

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