SCHEMBL13646243

SCHEMBL13646243

CN(C)CCCN(Cc1ccc(C(=O)Nc2ccccc2NC(=O)CC(C)(C)C)cc1)C(=O)NCc1ccco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.49
HDAC6 Q9UBN7 5/20 0.49
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
RECQL P46063 2/20 0.41
TP53 P04637 2/20 0.40
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 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
SCHEMBL4397087 0.88 HDAC1 (0.48) HDAC1HDAC6ALDH1A1HPGDMAPT
SCHEMBL12052038 0.86 HDAC1 (0.50) HDAC1HDAC6ALDH1A1HPGDMAPT
SCHEMBL13646294 0.79 HDAC1 (0.51) HDAC1HDAC6KDM4EHDAC3HDAC2
SCHEMBL13646269 0.78 HDAC1 (0.51) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL12199930 0.77 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL13646307 0.72 HSD17B10 (0.48) HDAC1HDAC6ALDH1A1HPGDMAPT
SCHEMBL12199822 0.72 HDAC6 (0.46) HDAC1HDAC6ALDH1A1KDM4EHDAC3
SCHEMBL12199753 0.71 HTT (0.47) HDAC1HDAC6ALDH1A1MAPTRECQL
SCHEMBL13646279 0.71 NAMPT (0.48) HDAC1HDAC6ALDH1A1KDM4ETSHR
SCHEMBL13646237 0.71 POLB (0.49) HDAC1HDAC6ALDH1A1KDM4ETSHR

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