SCHEMBL5078374

SCHEMBL5078374

O=C(NO)c1ccc(CN2c3ccccc3NC(=O)[C@@H]2Cc2c[nH]c3ccccc23)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 18/20 0.72
HDAC8 Q9BY41 15/20 0.72
HDAC2 Q92769 13/20 0.72
HDAC1 Q13547 4/20 0.56
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5078378 1.00 HDAC6 (0.72) HDAC6HDAC8HDAC2HDAC1HDAC4
SCHEMBL5081643 1.00 HDAC6 (0.72) HDAC6HDAC8HDAC2HDAC1HDAC4
SCHEMBL5579383 0.87 HDAC8 (0.54) HDAC6HDAC8HDAC2HDAC1HDAC4
SCHEMBL5579384 0.87 HDAC8 (0.54) HDAC6HDAC8HDAC2HDAC1HDAC4
SCHEMBL5579421 0.84 HDAC6 (0.71) HDAC6HDAC8HDAC2HDAC1HDAC4
SCHEMBL5078427 0.84 HDAC6 (0.71) HDAC6HDAC8HDAC2HDAC1HDAC4
SCHEMBL5081676 0.84 HDAC6 (0.71) HDAC6HDAC8HDAC2HDAC1HDAC4
SCHEMBL5078396 0.84 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1
SCHEMBL5082166 0.84 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1
SCHEMBL5078399 0.84 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101296910-A Benzodiazepine and benzopiperazine analog inhibitors of histone deacetylase METHYLGENE INC (CA) 2008-10-29 CN claimed
EP-1940805-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-07-09 EP claimed
WO-2007022638-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-03-01 WO claimed
CN-101296910-A Benzodiazepine and benzopiperazine analog inhibitors of histone deacetylase METHYLGENE INC (CA) 2008-10-29 CN disclosed