SCHEMBL13076536

SCHEMBL13076536

O=Nc1ccc(-c2oc3ccccc3c(=O)c2O)cc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.73
KMT2A Q03164 11/20 0.73
KDM4E B2RXH2 10/20 0.73
CYP3A4 P08684 9/20 0.73
TP53 P04637 8/20 0.73
MAPT P10636 8/20 0.73
HSD17B10 Q99714 7/20 0.73
MAPK1 P28482 6/20 0.73
ALOX12 P18054 5/20 0.73
ALOX15 P16050 5/20 0.73
CYP2C9 P11712 4/20 0.73
CYP2D6 P10635 3/20 0.73
CYP2C19 P33261 3/20 0.73
RECQL P46063 3/20 0.73
CDK2 P24941 2/20 0.73
ST6GAL1 P15907 1/20 0.73
ALDH1A1 P00352 5/20 0.62
HPGD P15428 5/20 0.62
FTO Q9C0B1 2/20 0.62
USP2 O75604 2/20 0.62

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
SCHEMBL20144730 0.86 MEN1 (0.74) MEN1KMT2AKDM4ECYP3A4TP53
SCHEMBL23791700 0.86 MEN1 (0.59) MEN1KMT2AKDM4ECYP3A4TP53
SCHEMBL29437764 0.85 MEN1 (1.00) MEN1KMT2AKDM4ECYP3A4TP53
SCHEMBL15676575 0.85 MEN1 (1.00) MEN1KMT2AKDM4ECYP3A4TP53
SCHEMBL169366 0.85 MEN1 (1.00) MEN1KMT2AKDM4ECYP3A4TP53
SCHEMBL30626973 0.85 MEN1 (1.00) MEN1KMT2AKDM4ECYP3A4TP53
SCHEMBL27451564 0.83 MEN1 (0.97) MEN1KMT2AKDM4ECYP3A4TP53
SCHEMBL3066182 0.82 MEN1 (0.78) MEN1KMT2AKDM4ECYP3A4TP53
SCHEMBL2746872 0.81 MEN1 (0.90) MEN1KMT2AKDM4ECYP3A4TP53
SCHEMBL14690781 0.81 MEN1 (0.77) MEN1KMT2AKDM4ECYP3A4TP53

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-2010129138-A2 PHOSPHORYLATED AND PHOSPHONATED PYRONE ANALOGS FOR THERAPEUTIC TREATMENT LIMERICK BIOPHARMA (US) 2010-11-11 WO disclosed