SCHEMBL4939629

SCHEMBL4939629

CNS(=O)(=O)c1cccc(-c2ccc3[nH]c4c(c3c2)CN(c2ncc(C(=O)NO)cn2)CC4)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 6/20 0.53
HDAC1 Q13547 6/20 0.44
HDAC6 Q9UBN7 6/20 0.44
SIRT2 Q8IXJ6 1/20 0.42
HTR6 P50406 5/20 0.40
HTR1A P08908 2/20 0.40
HTR2C P28335 2/20 0.40
HTR7 P34969 2/20 0.40
HDAC8 Q9BY41 4/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL5374091 0.90 BAZ2B (0.53) BAZ2BSIRT2HTR6HTR1AHTR2C
Dimethylamine SCHEMBL2975461 0.87 SIRT2 (0.56) BAZ2BHDAC1HDAC6SIRT2HDAC8
SCHEMBL2970427 0.86 HDAC1 (0.48) HDAC1HDAC6SIRT2HDAC8POLB
SCHEMBL2979019 0.85 HDAC1 (0.44) HDAC1HDAC6SIRT2HTR6HTR1A
SCHEMBL2978478 0.85 HDAC1 (0.45) BAZ2BHDAC1HDAC6SIRT2HDAC8
SCHEMBL2963876 0.85 HDAC1 (0.54) BAZ2BHDAC1HDAC6SIRT2HTR6
SCHEMBL8260531 0.84 CDK4 (0.48) BAZ2BHDAC1HDAC6SIRT2HDAC8
SCHEMBL2973248 0.84 HDAC1 (0.45) BAZ2BHDAC1HDAC6SIRT2HDAC8
SCHEMBL2968776 0.84 HDAC1 (0.56) BAZ2BHDAC1HDAC6SIRT2HDAC8
SCHEMBL2978492 0.84 HDAC1 (0.45) BAZ2BHDAC1HDAC6SIRT2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008530136-A 2008-08-07 JP claimed
EP-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP claimed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO claimed
EP-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO disclosed