SCHEMBL8349385

SCHEMBL8349385

COc1ccc(NCc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 1.00
HDAC2 Q92769 4/20 0.70
HDAC4 P56524 4/20 0.64
MEF2D Q14814 1/20 0.64
HDAC3 O15379 3/20 0.63
HDAC7 Q8WUI4 3/20 0.63
HDAC10 Q969S8 3/20 0.63
HDAC11 Q96DB2 3/20 0.63
HDAC8 Q9BY41 3/20 0.63
HDAC6 Q9UBN7 3/20 0.63
HDAC9 Q9UKV0 3/20 0.63
HDAC5 Q9UQL6 3/20 0.63

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
SCHEMBL1060915 1.00 HDAC1 (1.00) HDAC1HDAC2HDAC4MEF2DHDAC3
SCHEMBL1060917 1.00 HDAC1 (1.00) HDAC1HDAC2HDAC4MEF2DHDAC3
SCHEMBL1064008 0.90 HDAC1 (1.00) HDAC1HDAC2HDAC4MEF2DHDAC3
SCHEMBL8293110 0.90 HDAC1 (1.00) HDAC1HDAC2HDAC4MEF2DHDAC3
SCHEMBL1064005 0.90 HDAC1 (1.00) HDAC1HDAC2HDAC4MEF2DHDAC3
SCHEMBL12934285 0.89 HDAC1 (0.86) HDAC1HDAC2HDAC4MEF2DHDAC3
SCHEMBL1064705 0.89 HDAC1 (0.86) HDAC1HDAC2HDAC4MEF2DHDAC3
SCHEMBL1064706 0.89 HDAC1 (0.86) HDAC1HDAC2HDAC4MEF2DHDAC3
SCHEMBL13390086 0.89 HDAC1 (0.84) HDAC1HDAC4MEF2D
SCHEMBL8352270 0.89 HDAC1 (0.80) HDAC1HDAC2HDAC4MEF2DHDAC3

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-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed