SCHEMBL29950226

SCHEMBL29950226

O=C(O)CNC(=O)c1c(O)c2ccccc2n(CC2CCN(c3ccccc3)CC2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.64
HIF1A Q16665 2/20 0.62
BBOX1 O75936 1/20 0.58
ASPH Q12797 1/20 0.58
KDM8 Q8N371 1/20 0.58
GSK3B P49841 1/20 0.52
KDM4E B2RXH2 4/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
EGLN3 Q9H6Z9 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL29950280 0.89 EGLN1 (0.63) EGLN1HIF1ABBOX1ASPHKDM8
SCHEMBL8244798 0.88 HIF1A (0.67) EGLN1HIF1ABBOX1ASPHKDM8
SCHEMBL28849094 0.84 GSK3B (0.54) HIF1AGSK3BKDM4ELMNAHTT
SCHEMBL29950463 0.84 GSK3B (0.54) HIF1AGSK3BKDM4ELMNAHTT
SCHEMBL29950469 0.83 EGLN1 (0.59) EGLN1HIF1ABBOX1ASPHKDM8
SCHEMBL29949887 0.83 EGLN1 (0.59) EGLN1HIF1ABBOX1ASPHKDM8
SCHEMBL5308270 0.81 HIF1A (0.74) EGLN1HIF1ABBOX1ASPHKDM8
SCHEMBL28849034 0.80 EGLN1 (0.58) EGLN1HIF1ABBOX1ASPHKDM8
SCHEMBL28849092 0.80 EGLN1 (0.58) EGLN1HIF1ABBOX1ASPHKDM8
SCHEMBL29950086 0.80 EGLN1 (0.58) EGLN1HIF1ABBOX1ASPHKDM8

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
CN-108069952-B Quinolinone compound and application thereof in medicines 广东东阳光药业有限公司 2022-09-27 CN disclosed