SCHEMBL1065486

SCHEMBL1065486

COc1cc(CNc2ccc3sc(C(=O)Nc4ccccc4N)cc3c2)cc(OC)c1OC

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.68
HDAC2 Q92769 3/20 0.55
HDAC3 O15379 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47

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
SCHEMBL2733855 0.87 HDAC1 (0.68) HDAC1HDAC2
SCHEMBL3565545 0.87 HDAC1 (0.66) HDAC1HDAC2HDAC3
SCHEMBL3568796 0.85 HDAC1 (0.71) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL1064455 0.81 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC7HDAC8
SCHEMBL1080617 0.81 HDAC1 (0.71) HDAC1HDAC2
SCHEMBL3560308 0.81 HDAC1 (0.55) HDAC1
SCHEMBL1081112 0.81 TUBB4A (0.53) HDAC1
SCHEMBL6288990 0.78 HDAC1 (0.51) HDAC1HDAC2HDAC3HDAC7HDAC8
SCHEMBL3576523 0.77 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC7HDAC8
SCHEMBL3571974 0.77 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC7HDAC8

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-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-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 WO disclosed