SCHEMBL10157592

SCHEMBL10157592

CCOC(=O)CCNc1cc(NCCc2cccc([N+](=O)[O-])c2)nc(-c2ccccn2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6A O15550 2/20 0.55
KDM5C P41229 2/20 0.55
KDM5B Q9UGL1 2/20 0.55
KDM6B O15054 1/20 0.55
KDM4A O75164 1/20 0.55
KDM4B O94953 1/20 0.55
KDM3B Q7LBC6 1/20 0.55
TET1 Q8NFU7 1/20 0.55
KDM2B Q8NHM5 1/20 0.55
KDM4C Q9H3R0 1/20 0.55
PHF8 Q9UPP1 1/20 0.55
KDM3A Q9Y4C1 1/20 0.55
HDAC1 Q13547 6/20 0.44
IRAK4 Q9NWZ3 2/20 0.44
HTT P42858 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
AGTR1 P30556 1/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL10157740 0.86 KDM6A (0.59) KDM6AKDM5CKDM5BKDM6BKDM4A
SCHEMBL14931745 0.82 KDM6A (0.64) KDM6AKDM5CKDM5BKDM6BKDM4A
SCHEMBL10157727 0.81 KDM6A (0.67) KDM6AKDM5CKDM5BKDM6BKDM4A
SCHEMBL2721826 0.81 KDM6A (0.67) KDM6AKDM5CKDM5BKDM6BKDM4A
SCHEMBL10158454 0.79 KDM6A (0.65) KDM6AKDM5CKDM5BKDM6BKDM4A
SCHEMBL2723353 0.78 KDM6A (0.64) KDM6AKDM5CKDM5BKDM6BKDM4A
SCHEMBL14931841 0.78 KDM6A (0.66) KDM6AKDM5CKDM5BKDM6BKDM4A
SCHEMBL10157602 0.77 KDM6A (0.49) KDM6AKDM5CKDM5BKDM6BKDM4A
SCHEMBL10156433 0.77 KDM6A (0.62) KDM6AKDM5CKDM5BKDM6BKDM4A
SCHEMBL10156418 0.76 KDM6A (0.64) KDM6AKDM5CKDM5BKDM6BKDM4A

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-2012052390-A1 N-2-(2-PYRIDINYL)-4-PYRIMIDINYL-BETA-ALANINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASE JMJD3 GLAXO GROUP LIMITED (GB) 2012-04-26 WO disclosed