SCHEMBL16627732

SCHEMBL16627732

O=c1[nH]c2ccccc2cc1Nc1ccc(O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.55
DDO Q99489 1/20 0.55
BRD4 O60885 1/20 0.44
KDR P35968 2/20 0.42
CHEK1 O14757 1/20 0.42
GAA P10253 3/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
DDX3X O00571 1/20 0.40
HIF1A Q16665 1/20 0.40
HPGD P15428 3/20 0.39
CDC25B P30305 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 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
SCHEMBL16627647 0.85 DAO (0.54) DAODDOBRD4KDRCHEK1
SCHEMBL16627639 0.82 PYGM (0.55) DAODDOBRD4KDRCHEK1
SCHEMBL16627731 0.80 BRD4 (0.55) DAODDOBRD4KDRCHEK1
SCHEMBL16627659 0.79 BRD4 (0.58) DAODDOBRD4KDRCHEK1
SCHEMBL16627634 0.79 DAO (0.46) DAODDOBRD4KDRCHEK1
SCHEMBL16627640 0.78 BRD4 (0.45) DAODDOBRD4KDRCHEK1
SCHEMBL16627631 0.76 BRD4 (0.43) DAODDOBRD4KDRCHEK1
SCHEMBL16627633 0.76 BRD4 (0.46) DAODDOBRD4KDRCHEK1
SCHEMBL16627660 0.75 HPGD (0.50) BRD4GAAKDM4EMAPTHPGD
SCHEMBL30077634 0.72 DAO (1.00) DAODDOBRD4KDRCHEK1

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