SCHEMBL8348463

SCHEMBL8348463

Nc1ccccc1NC(=O)c1ccc(CNc2ccc(O)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.83
HDAC2 Q92769 6/20 0.83
HDAC3 O15379 4/20 0.83
NCOR2 Q9Y618 2/20 0.83
HDAC6 Q9UBN7 2/20 0.59
HDAC4 P56524 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59

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
SCHEMBL23746024 0.91 HDAC1 (0.90) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL1063455 0.89 HDAC1 (0.81) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL1064786 0.89 HDAC1 (0.81) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL1064283 0.88 HDAC1 (0.79) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL1065292 0.85 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL1083309 0.85 HDAC1 (0.76) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL1066040 0.85 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL209790 0.85 HDAC1 (0.80) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL18361216 0.85 HDAC1 (0.77) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL13713672 0.84 HDAC1 (0.74) HDAC1HDAC2HDAC3NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590340-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-04-07 EP 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