SCHEMBL8348204

SCHEMBL8348204

Nc1ccccc1NC(=O)/C=C/c1ccc(NCCCn2ccnc2)nc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.68
ALDH1A1 P00352 1/20 0.51
HDAC2 Q92769 4/20 0.49
NAMPT P43490 1/20 0.46

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
SCHEMBL1066020 1.00 HDAC1 (0.68) HDAC1ALDH1A1HDAC2NAMPT
SCHEMBL1066018 1.00 HDAC1 (0.68) HDAC1ALDH1A1HDAC2NAMPT
SCHEMBL1065233 0.81 HDAC1 (1.00) HDAC1HDAC2
SCHEMBL8351285 0.81 HDAC1 (1.00) HDAC1HDAC2
SCHEMBL1065231 0.81 HDAC1 (1.00) HDAC1HDAC2
SCHEMBL8348738 0.81 HDAC1 (0.79) HDAC1HDAC2NAMPT
SCHEMBL1083660 0.81 HDAC1 (0.79) HDAC1HDAC2NAMPT
SCHEMBL1083665 0.81 HDAC1 (0.79) HDAC1HDAC2NAMPT
SCHEMBL1062945 0.80 HDAC1 (1.00) HDAC1HDAC2
SCHEMBL1062943 0.80 HDAC1 (1.00) HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
EP-1590340-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-04-07 EP disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 WO disclosed