SCHEMBL12199801

SCHEMBL12199801

CN(CCNCc1ccc(C(=O)Nc2ccccc2NC(=O)CC(C)(C)C)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.46
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
NCOR2 Q9Y618 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NAMPT P43490 1/20 0.37

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
SCHEMBL2497101 0.89 HDAC1 (0.48) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL12199650 0.83 HDAC1 (0.52) HDAC1HTTSMN1; SMN2HDAC3HDAC2
SCHEMBL12199930 0.83 HDAC1 (0.52) HDAC1HTTSMN1; SMN2HDAC3HDAC2
SCHEMBL2480604 0.80 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL16269680 0.79 ATM (0.48) HDAC1HTTHDAC3HDAC2HDAC8
SCHEMBL12286676 0.78 ALDH1A1 (0.44) HDAC1SMN1; SMN2HDAC3HDAC2NCOR2
SCHEMBL12199753 0.77 HTT (0.47) HDAC1HTTSMN1; SMN2HDAC3HDAC2
SCHEMBL12199815 0.77 HDAC1 (0.46) HDAC1HTTSMN1; SMN2HDAC3HDAC2
SCHEMBL2474430 0.76 HDAC1 (0.51) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2479909 0.76 HDAC1 (0.48) HDAC1HDAC3HDAC2HDAC4HDAC7

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-B1 NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2011-10-12 EP disclosed