SCHEMBL14944371

SCHEMBL14944371

COC(=O)CCNc1cc(N2Cc3ccccc3C2)nc(-c2cc(CN(C(=O)OCc3ccccc3)c3ccccc3)ccn2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6A O15550 5/20 0.49
KDM5B Q9UGL1 4/20 0.49
KDM2B Q8NHM5 4/20 0.49
KDM6B O15054 4/20 0.49
KDM5C P41229 3/20 0.49
KDM4C Q9H3R0 3/20 0.49
PHF8 Q9UPP1 3/20 0.49
KDM4A O75164 2/20 0.49
KDM4B O94953 2/20 0.49
KDM3A Q9Y4C1 2/20 0.49
KDM3B Q7LBC6 1/20 0.49
TET1 Q8NFU7 1/20 0.49
KDM5A P29375 3/20 0.45
CHRNA1 P02708 2/20 0.45
MAOB P27338 2/20 0.45
OPRM1 P35372 2/20 0.45
OPRK1 P41145 2/20 0.45
PDE4B Q07343 2/20 0.45
SCN5A Q14524 2/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL14931869 0.86 HDAC1 (0.41) KDM6AKDM5BKDM2BKDM6BKDM5C
SCHEMBL14931807 0.82 KDM6A (0.53) KDM6AKDM5BKDM2BKDM6BKDM5C
SCHEMBL14931796 0.74 KDM6B (0.61) KDM6AKDM5BKDM2BKDM6BKDM5C
SCHEMBL10157007 0.74 TSHR (0.40)
SCHEMBL14944354 0.73 JMJD6 (0.41)
SCHEMBL18159121 0.71 KDM6B (0.85) KDM6AKDM5BKDM2BKDM6BKDM5C
SCHEMBL10157745 0.69 KDM6A (0.75) KDM6AKDM5BKDM2BKDM6BKDM5C
SCHEMBL10157089 0.68 TSPO (0.42) KDM4CKDM5A
SCHEMBL10157025 0.67 KDM6A (0.71) KDM6AKDM5BKDM2BKDM6BKDM5C
SCHEMBL29373519 0.66 KDM6B (1.00) KDM6AKDM5BKDM2BKDM6BKDM5C

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
EP-2592154-A1 Immobilization products and methods for the identification of histone demethylase interacting molecules and for the purification of histone demethylase proteins CELLZOME AG (DE) 2013-05-15 EP disclosed