SCHEMBL29826664

SCHEMBL29826664

O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cccc(O)c12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.72
KMT2A Q03164 10/20 0.72
KDM4E B2RXH2 9/20 0.72
CYP3A4 P08684 8/20 0.72
HSD17B10 Q99714 8/20 0.72
ALOX15 P16050 8/20 0.72
MAPT P10636 8/20 0.72
TP53 P04637 6/20 0.72
RECQL P46063 6/20 0.72
CYP2C9 P11712 6/20 0.72
MAPK1 P28482 5/20 0.72
LMNA P02545 5/20 0.72
HPGD P15428 5/20 0.72
ALOX12 P18054 4/20 0.72
CYP2C19 P33261 4/20 0.72
APP P05067 4/20 0.72
IP6K2 Q9UHH9 4/20 0.72
SLCO2B1 O94956 4/20 0.72
ALDH1A1 P00352 4/20 0.72
CDK5 Q00535 4/20 0.72

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
SCHEMBL18676308 1.00 MEN1 (0.72) MEN1KMT2AKDM4ECYP3A4HSD17B10
SCHEMBL31326068 1.00 MEN1 (0.72) MEN1KMT2AKDM4ECYP3A4HSD17B10
SCHEMBL12639983 0.88 MEN1 (0.74) MEN1KMT2AKDM4ECYP3A4HSD17B10
Quercetin SCHEMBL729498 0.86 MEN1 (0.76) MEN1KMT2AKDM4ECYP3A4HSD17B10
SCHEMBL22625755 0.85 MEN1 (0.61) MEN1KMT2AKDM4ECYP3A4HSD17B10
SCHEMBL10335363 0.84 MEN1 (0.79) MEN1KMT2AKDM4ECYP3A4HSD17B10
SCHEMBL4879748 0.84 AMY1A (0.78) MEN1KMT2AKDM4ECYP3A4HSD17B10
SCHEMBL7660030 0.84 NOX4 (0.76) MEN1KMT2AKDM4ECYP3A4HSD17B10
SCHEMBL14764339 0.84 MEN1 (0.76) MEN1KMT2AKDM4ECYP3A4HSD17B10
SCHEMBL14764381 0.84 CYP1A1 (0.76) MEN1KMT2AKDM4ECYP3A4HSD17B10

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-114981263-A Novel quercetin redox derivatives and use thereof as BET inhibitors 贝诺生物有限公司 2022-08-30 CN disclosed