SCHEMBL23303939

SCHEMBL23303939

O=C(O)c1ccnc(-c2cc(-c3cc(C(=O)O)ccn3)cc(-c3cc(C(=O)O)ccn3)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.67
KDM4C Q9H3R0 11/20 0.65
KDM5C P41229 7/20 0.65
KDM4A O75164 7/20 0.65
KDM2A Q9Y2K7 5/20 0.65
KDM3A Q9Y4C1 5/20 0.65
KDM4E B2RXH2 5/20 0.65
KDM6B O15054 4/20 0.65
P4HA1 P13674 1/20 0.62
KDM5B Q9UGL1 6/20 0.59
KDM4B O94953 3/20 0.59
KDM5A P29375 3/20 0.59
TET3 O43151 1/20 0.59
BBOX1 O75936 1/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.59
ASPH Q12797 1/20 0.59
KDM4D Q6B0I6 1/20 0.59
TET2 Q6N021 1/20 0.59
ALKBH5 Q6P6C2 1/20 0.59

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
SCHEMBL30318846 1.00 KMO (0.67) KMOKDM4CKDM5CKDM4AKDM2A
SCHEMBL28270191 0.92 KMO (0.68) KMOKDM4CKDM5CKDM4AKDM2A
SCHEMBL70700 0.89 KDM4C (0.78) KMOKDM4CKDM5CKDM4AKDM2A
SCHEMBL29407015 0.89 KDM4C (0.78) KMOKDM4CKDM5CKDM4AKDM2A
SCHEMBL648273 0.88 KDM4C (0.71) KMOKDM4CKDM5CKDM4AKDM2A
SCHEMBL25220048 0.87 KDM4C (0.75) KMOKDM4CKDM5CKDM4AKDM2A
SCHEMBL25221788 0.87 KDM4C (0.75) KMOKDM4CKDM5CKDM4AKDM2A
SCHEMBL5670010 0.87 KDM4C (0.75) KMOKDM4CKDM5CKDM4AKDM2A
Hydrochloric Acid SCHEMBL6018233 0.87 KDM4C (0.75) KMOKDM4CKDM5CKDM4AKDM2A
SCHEMBL25273097 0.87 KDM4C (0.75) KMOKDM4CKDM5CKDM4AKDM2A

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-2021085645-A1 METHOD FOR DETERMINING STRUCTURE OF SUBSTANCE IN MULTICOMPONENT SAMPLE キリンホールディングス株式会社 2021-05-06 WO disclosed