SCHEMBL20125329

SCHEMBL20125329

O=C(O)c1ccnc2cc(C(=O)N3CCC(C4=CCCC=C4)C3)[nH]c12

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 13/20 0.71
KDM5A P29375 13/20 0.65
KDM5B Q9UGL1 13/20 0.65
KDM4A O75164 2/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL20125278 0.89 KDM4C (0.57) KDM4CKDM5AKDM5BTP53MAPT
SCHEMBL16149299 0.83 KDM4C (1.00) KDM4CKDM5AKDM5BKDM4A
SCHEMBL16151100 0.79 KDM4C (1.00) KDM4CKDM5AKDM5BKDM4ATP53
SCHEMBL16157351 0.78 KDM5A (0.97) KDM4CKDM5AKDM5BKDM4ATP53
SCHEMBL16148830 0.77 KDM5A (1.00) KDM4CKDM5AKDM5BKDM4ATP53
SCHEMBL16150318 0.74 KDM4C (0.80) KDM4CKDM5AKDM5B
SCHEMBL16157398 0.71 KDM5A (0.74) KDM4CKDM5AKDM5BKDM4A
SCHEMBL16148987 0.70 KDM5A (1.00) KDM4CKDM5AKDM5BKDM4A
SCHEMBL20125306 0.69 KDM4C (0.62) KDM4CKDM5AKDM5BKDM4A
SCHEMBL16149743 0.69 KDM4C (0.81) KDM4CKDM5AKDM5BTP53MAPT

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-2968282-B1 HISTONE DEMENTHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2018-05-09 EP disclosed