SCHEMBL8347113

SCHEMBL8347113

COc1cccc(NCc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 1.00
HDAC4 P56524 8/20 0.84
MEF2D Q14814 8/20 0.84
EP300 Q09472 4/20 0.69

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
SCHEMBL1060615 1.00 HDAC1 (1.00) HDAC1HDAC4MEF2DEP300
SCHEMBL1060613 1.00 HDAC1 (1.00) HDAC1HDAC4MEF2DEP300
SCHEMBL8348094 0.92 HDAC1 (0.85) HDAC1HDAC4MEF2DEP300
SCHEMBL21232494 0.91 HDAC4 (1.00) HDAC1HDAC4MEF2DEP300
SCHEMBL1065148 0.89 HDAC1 (1.00) HDAC1HDAC4MEF2DEP300
SCHEMBL8349161 0.89 HDAC1 (1.00) HDAC1HDAC4MEF2DEP300
SCHEMBL1060851 0.89 HDAC1 (1.00) HDAC1HDAC4MEF2DEP300
SCHEMBL1060849 0.89 HDAC1 (1.00) HDAC1HDAC4MEF2DEP300
SCHEMBL1065146 0.89 HDAC1 (1.00) HDAC1HDAC4MEF2DEP300
SCHEMBL2732586 0.89 HDAC1 (1.00) HDAC1HDAC4MEF2DEP300

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