SCHEMBL29950463

SCHEMBL29950463

COC(=O)c1c(O)c2ccccc2n(CC2CCN(c3ccccc3)CC2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.54
KDM4E B2RXH2 5/20 0.51
HIF1A Q16665 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 3/20 0.47
RECQL P46063 1/20 0.47
HPGD P15428 2/20 0.46
THRB P10828 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.45
USP2 O75604 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL28849094 1.00 GSK3B (0.54) GSK3BKDM4EHIF1AMEN1KMT2A
SCHEMBL28849138 0.87 GSK3B (0.52) GSK3BKDM4EHIF1AMEN1KMT2A
SCHEMBL29950200 0.87 GSK3B (0.52) GSK3BKDM4EHIF1AMEN1KMT2A
SCHEMBL29950226 0.84 EGLN1 (0.64) GSK3BKDM4EHIF1AMEN1KMT2A
SCHEMBL11372077 0.80 GSK3B (0.60) GSK3BKDM4EHIF1AMEN1KMT2A
SCHEMBL11389635 0.79 KDM4E (0.76) GSK3BKDM4EMEN1KMT2AALDH1A1
SCHEMBL19086601 0.78 HIF1A (0.76) GSK3BKDM4EHIF1AHTTMAPK1
SCHEMBL19086523 0.75 HIF1A (0.52) GSK3BKDM4EHIF1AMEN1KMT2A
SCHEMBL29950280 0.73 EGLN1 (0.63) GSK3BHIF1AMEN1KMT2A
SCHEMBL29949910 0.73 KDM4E (0.64) GSK3BKDM4EMEN1KMT2AALDH1A1

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