SCHEMBL29950200

SCHEMBL29950200

COC(=O)c1c(O)c2ccccc2n(CC2CCN(c3ccccc3Cl)CC2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.52
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 3/20 0.46
HIF1A Q16665 1/20 0.44
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL28849138 1.00 GSK3B (0.52) GSK3BMEN1KMT2ACRHBPCRHR2
SCHEMBL29950463 0.87 GSK3B (0.54) GSK3BMEN1KMT2AKDM4EHIF1A
SCHEMBL28849094 0.87 GSK3B (0.54) GSK3BMEN1KMT2AKDM4EHIF1A
SCHEMBL29950280 0.84 EGLN1 (0.63) GSK3BMEN1KMT2AHIF1A
SCHEMBL11389635 0.77 KDM4E (0.76) GSK3BMEN1KMT2AKDM4ELMNA
SCHEMBL11372077 0.75 GSK3B (0.60) GSK3BMEN1KMT2AKDM4EHIF1A
SCHEMBL19086601 0.73 HIF1A (0.76) GSK3BKDM4EHIF1A
SCHEMBL19086523 0.73 HIF1A (0.52) GSK3BMEN1KMT2ATDP1KDM4E
SCHEMBL38660055 0.72 GSK3B (0.71) GSK3BMEN1KMT2ACRHBPCRHR2
SCHEMBL29950001 0.72 TSHR (0.45)

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