SCHEMBL16095915

SCHEMBL16095915

O=C(O)c1ccnc(-c2c[nH]c(CCN(Cc3ccc(Cl)c(Cl)c3)C3CC3)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 10/20 0.65
▸ KDM5A P29375 7/20 0.49
▸ KDM5B Q9UGL1 7/20 0.49
▸ KMO O15229 1/20 0.44
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ KDM2B Q8NHM5 4/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL16095206 0.91 KDM4C (0.64) KDM4CKDM5AKDM5BKMOKDM2B
SCHEMBL16033531 0.79 KDM4C (1.00) KDM4CKDM5AKDM5BKDM2BKDM4A
SCHEMBL20978720 0.77 KDM4C (0.69) KDM4CKDM5AKDM5BKMOSLC6A2
SCHEMBL16095331 0.72 KDM2B (0.55) KDM4CKDM5AKDM5BKDM2BKDM4A
SCHEMBL16095431 0.72 KDM5B (0.41) KDM4CKDM5AKDM5BKDM2BKDM4A
SCHEMBL16095345 0.72 KDM4C (0.44) KDM4CKDM5AKDM5BKMOKDM4A
SCHEMBL16095088 0.72 KDM5B (0.44) KDM4CKDM5AKDM5BKDM2BKDM4A
SCHEMBL16095045 0.71 KDM5B (0.48) KDM4CKDM5AKDM5BKDM2BKDM4A
SCHEMBL16095741 0.70 KDM4C (0.60) KDM4CKDM5AKDM5BKMOKDM4A
SCHEMBL16095275 0.70 KDM4C (0.49) KDM4CKDM5AKDM5BKDM2BKDM4A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969007-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals Inc (US) 2016-01-20 — — EP disclosed
WO-2014151945-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-25 — — WO disclosed
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