SCHEMBL13646294

SCHEMBL13646294

CN(C)CCCN(Cc1ccc(C(=O)Nc2ccccc2NC(=O)CC(C)(C)C)cc1)C(=O)NC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.51
HDAC6 Q9UBN7 16/20 0.51
GAA P10253 1/20 0.51
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
APOBEC3A P31941 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39

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
SCHEMBL2478129 0.87 HDAC1 (0.50) HDAC1HDAC6GAAHDAC3HDAC2
SCHEMBL3834376 0.86 GAA (0.54) HDAC1HDAC6GAAHDAC3HDAC2
SCHEMBL2476409 0.82 HDAC1 (0.43) HDAC1HDAC6GAAHDAC3HDAC2
SCHEMBL3834422 0.80 HDAC1 (0.54) HDAC1HDAC6GAAHDAC3HDAC2
SCHEMBL13646269 0.80 HDAC1 (0.51) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL13646243 0.79 HDAC1 (0.49) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL12199822 0.77 HDAC6 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL3837721 0.76 HDAC1 (0.42) HDAC1HDAC6GAAHDAC3HDAC2
SCHEMBL4396435 0.76 HDAC1 (0.49) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL12199930 0.75 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2107052-A1 NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-10-07 EP disclosed