SCHEMBL8347948

SCHEMBL8347948

CSc1ccc(NCc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.78
HDAC4 P56524 3/20 0.61
MEF2D Q14814 3/20 0.61
EP300 Q09472 2/20 0.61
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
NFKB1 P19838 1/20 0.56
RAB9A P51151 1/20 0.56
NFKB2 Q00653 1/20 0.56
KMT2A Q03164 1/20 0.56
RELA Q04206 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HDAC3 O15379 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL1064780 1.00 HDAC1 (0.78) HDAC1HDAC4MEF2DEP300KDM4E
SCHEMBL1064781 1.00 HDAC1 (0.78) HDAC1HDAC4MEF2DEP300KDM4E
SCHEMBL1066061 0.89 HDAC1 (0.74) HDAC1HDAC4MEF2DEP300MEN1
SCHEMBL8348759 0.89 HDAC1 (0.74) HDAC1HDAC4MEF2DEP300MEN1
SCHEMBL1066060 0.89 HDAC1 (0.74) HDAC1HDAC4MEF2DEP300MEN1
SCHEMBL1065916 0.88 HDAC1 (1.00) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL1065917 0.88 HDAC1 (1.00) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL8348764 0.88 HDAC1 (1.00) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL12963524 0.87 HDAC1 (0.85) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL1064940 0.86 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 7 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-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
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