SCHEMBL8349702

SCHEMBL8349702

Nc1ccccc1NC(=O)c1ccc(Cn2cnc3ccc(Cl)cc3c2=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.80
HDAC2 Q92769 7/20 0.59
HDAC3 O15379 4/20 0.54
HDAC10 Q969S8 4/20 0.54
HDAC8 Q9BY41 4/20 0.54
HDAC4 P56524 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC5 Q9UQL6 3/20 0.54
NCOR2 Q9Y618 3/20 0.54
SCD O00767 2/20 0.54

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
SCHEMBL1064695 0.90 HDAC1 (0.79) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL13390113 0.90 HDAC1 (0.79) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL1065031 0.89 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL1066153 0.87 HDAC1 (0.78) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL1063811 0.84 HDAC1 (0.73) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL1064329 0.83 HDAC1 (0.80) HDAC1
SCHEMBL13390323 0.82 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL1060520 0.82 HDAC1 (0.80) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL23498234 0.81 SCD (0.59) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL1060648 0.80 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC10HDAC8

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
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-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 WO disclosed