SCHEMBL6131202

SCHEMBL6131202

Nc1cscc1NC(=O)c1ccc(CNc2nc3ccc(OCCN4CCOCC4)cc3s2)cc1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.84
AURKB Q96GD4 17/20 0.74

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
SCHEMBL1061039 0.91 HDAC1 (1.00) HDAC1AURKB
SCHEMBL3552633 0.89 HDAC1 (0.66) HDAC1AURKB
SCHEMBL213280 0.87 HDAC1 (0.85) HDAC1AURKB
SCHEMBL6131078 0.86 AURKB (0.79) HDAC1AURKB
SCHEMBL8350666 0.85 AURKB (0.78) HDAC1AURKB
SCHEMBL6919054 0.84 AURKB (0.77) HDAC1AURKB
SCHEMBL1065095 0.84 AURKB (0.79) HDAC1AURKB
Lithium Ion SCHEMBL6919059 0.84 AURKB (0.74) HDAC1AURKB
SCHEMBL213867 0.84 HDAC1 (0.86) HDAC1AURKB
SCHEMBL209760 0.83 HDAC1 (0.85) HDAC1AURKB

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 9 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
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 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