SCHEMBL13646256

SCHEMBL13646256

CN(C)CCCN(Cc1ccc(C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(N)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.56
HDAC6 Q9UBN7 10/20 0.56
HDAC3 O15379 12/20 0.55
HDAC2 Q92769 12/20 0.55
NCOR2 Q9Y618 4/20 0.55
HDAC4 P56524 6/20 0.53
HDAC7 Q8WUI4 6/20 0.53
HDAC8 Q9BY41 6/20 0.53
HDAC9 Q9UKV0 6/20 0.53
HDAC5 Q9UQL6 6/20 0.53
HDAC10 Q969S8 4/20 0.53
HDAC11 Q96DB2 3/20 0.53

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
SCHEMBL3835729 0.93 HDAC1 (0.55) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL2478629 0.93 HDAC1 (0.58) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL2475158 0.93 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL2506885 0.93 HDAC1 (0.55) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL2496863 0.92 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL2474043 0.92 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL2474812 0.92 HDAC1 (0.58) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL4389887 0.92 HDAC1 (0.54) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL2474131 0.90 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL3837782 0.90 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC2NCOR2

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