SCHEMBL8348764

SCHEMBL8348764

Nc1ccccc1NC(=O)/C=C/c1ccc(CNc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 1.00
HDAC4 P56524 3/20 0.77
MEF2D Q14814 3/20 0.77
EP300 Q09472 1/20 0.77
HDAC3 O15379 3/20 0.68
HDAC6 Q9UBN7 1/20 0.68
HDAC2 Q92769 2/20 0.64
NCOR2 Q9Y618 1/20 0.64
KDM1A O60341 1/20 0.64
MAOA P21397 1/20 0.64
HDAC8 Q9BY41 1/20 0.62

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
SCHEMBL1065917 1.00 HDAC1 (1.00) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL1065916 1.00 HDAC1 (1.00) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL1064708 0.93 HDAC1 (0.87) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL8348922 0.93 HDAC1 (0.87) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL1064711 0.93 HDAC1 (0.87) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL12963524 0.92 HDAC1 (0.85) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL1064940 0.91 HDAC1 (0.83) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL1063545 0.91 HDAC1 (0.83) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL1063547 0.91 HDAC1 (0.83) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL8349389 0.91 HDAC1 (0.83) HDAC1HDAC4MEF2DEP300HDAC3

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