SCHEMBL16636576

SCHEMBL16636576

CC(C)C1(Nc2ncc(C(=O)NO)cn2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.71
HDAC3 O15379 19/20 0.71
HDAC2 Q92769 19/20 0.71
HDAC6 Q9UBN7 19/20 0.71
HDAC4 P56524 2/20 0.52
KCNH2 Q12809 1/20 0.52
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49

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
SCHEMBL16632337 0.83 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL16636217 0.83 HDAC3 (0.72) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL22874120 0.79 HDAC3 (0.74) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL16632298 0.79 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6
SCHEMBL16644607 0.77 HDAC1 (0.79) HDAC1HDAC3HDAC2HDAC6
SCHEMBL16632393 0.77 HDAC3 (0.77) HDAC1HDAC3HDAC2HDAC6
SCHEMBL16636826 0.73 HDAC3 (0.76) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL22874181 0.73 HDAC3 (0.77) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL4730872 0.73 HDAC6 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4
Hydrochloric Acid SCHEMBL28602304 0.72 HDAC6 (0.69) HDAC1HDAC3HDAC2HDAC6HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055299-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS Acetylon Pharmaceuticals, Inc. (US) 2016-08-17 EP disclosed
WO-2015054474-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ACETYLON PHARMACEUTICALS, INC. (US) 2015-04-16 WO disclosed