SCHEMBL5161732

SCHEMBL5161732

Nc1ccccc1NC(=O)c1ccc(C=CCn2c(=O)c3ccccc3c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.55
HDAC3 O15379 3/20 0.46
HDAC2 Q92769 3/20 0.46
MAPK1 P28482 1/20 0.46
NCOR2 Q9Y618 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL5165061 0.91 HDAC1 (0.53) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL5161728 0.80 HDAC1 (0.58) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL4261230 0.76 HDAC2 (0.54) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL4261233 0.76 HDAC2 (0.54) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL14051480 0.74 HDAC1 (0.58) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL5163251 0.73 HDAC1 (0.62) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL4261801 0.73 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4261798 0.73 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4895649 0.72 HDAC1 (0.56) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL1064696 0.71 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758847-A1 INHIBITORS OF HISTONE DEACETYLASE Cancer Research Technology Limited (GB) 2007-03-07 EP disclosed
WO-2005121073-A1 INHIBITORS OF HISTONE DEACETYLASE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-12-22 WO disclosed