SCHEMBL16095834

SCHEMBL16095834

O=C(O)c1ccnc(-c2c[nH]c(CC3CCCCC3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 7/20 0.56
▸ KDM2B Q8NHM5 6/20 0.44
▸ KDM5B Q9UGL1 4/20 0.43
▸ KDM5A P29375 1/20 0.43
▸ KDM5C P41229 5/20 0.43
▸ KDM2A Q9Y2K7 4/20 0.43
▸ KDM3A Q9Y4C1 4/20 0.43
▸ KDM4A O75164 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ KDM6B O15054 3/20 0.43
▸ BMP1 P13497 1/20 0.43
▸ P4HA1 P13674 1/20 0.42
▸ KDM4B O94953 2/20 0.41
▸ SPR P35270 1/20 0.41

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
SCHEMBL16095135 0.83 KDM4B (0.46) KDM4CKDM2BKDM5BKDM5CBMP1
SCHEMBL16096062 0.76 KDM4C (0.54) KDM4CKDM2BKDM5BKDM5AKDM5C
SCHEMBL16095089 0.73 KDM5B (0.62) KDM4CKDM2BKDM5BKDM5AKDM5C
SCHEMBL16104961 0.73 KDM5B (0.55) KDM4CKDM2BKDM5BKDM5AKDM5C
SCHEMBL16094928 0.73 KDM5C (0.55) KDM4CKDM5BKDM5AKDM5CKDM2A
SCHEMBL16095432 0.73 KDM5B (0.50) KDM4CKDM2BKDM5BKDM5AKDM5C
SCHEMBL4921443 0.71 KDM4C (0.75) KDM4CKDM2BKDM5BKDM5AKDM5C
SCHEMBL16033546 0.71 KDM4C (1.00) KDM4CKDM2BKDM5BKDM5AKDM4A
SCHEMBL17604506 0.71 KDM4C (0.54) KDM4CKDM5BKDM5AKDM5CKDM2A
SCHEMBL16095624 0.71 KDM4C (0.56) KDM4CKDM5BKDM5AKDM5CKDM2A

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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