SCHEMBL16095000

SCHEMBL16095000

O=C(O)c1ccnc(-c2c[nH]c(CCN3CCCc4cc(F)ccc43)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 13/20 0.66
▸ KDM4A O75164 5/20 0.59
▸ KDM2B Q8NHM5 3/20 0.59
▸ KDM5A P29375 8/20 0.52
▸ KDM5B Q9UGL1 7/20 0.52
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ JMJD6 Q6NYC1 1/20 0.36

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
SCHEMBL16095327 0.89 KDM4C (0.66) KDM4CKDM4AKDM2BKDM5AKDM5B
SCHEMBL16035034 0.79 KDM4C (1.00) KDM4CKDM4AKDM2BKDM5AKDM5B
SCHEMBL16033490 0.74 KDM4C (1.00) KDM4CKDM4AKDM2BKDM5AKDM5B
SCHEMBL20978722 0.73 KDM4C (0.68) KDM4CKDM4AKDM2BKDM5AKDM5B
SCHEMBL16104961 0.73 KDM5B (0.55) KDM4CKDM4AKDM2BKDM5AKDM5B
SCHEMBL16095331 0.72 KDM2B (0.55) KDM4CKDM4AKDM2BKDM5AKDM5B
SCHEMBL16095592 0.72 KDM4C (0.42) KDM4CKDM4AKDM2BKDM5AKDM5B
SCHEMBL16094674 0.71 KDM4C (0.48) KDM4CKDM4AKDM2BKDM5AKDM5B
SCHEMBL16094676 0.71 KDM5A (0.49) KDM4CKDM4AKDM2BKDM5AKDM5B
SCHEMBL16094521 0.70 KDM5B (0.59) KDM4CKDM4AKDM5AKDM5B

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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