SCHEMBL16636826

SCHEMBL16636826

CCN1CCC(Nc2ncc(C(=O)NO)cn2)(c2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 20/20 0.76
HDAC1 Q13547 20/20 0.76
HDAC2 Q92769 20/20 0.76
HDAC6 Q9UBN7 20/20 0.76
HDAC4 P56524 1/20 0.67
HDAC7 Q8WUI4 1/20 0.67
HDAC10 Q969S8 1/20 0.67
HDAC11 Q96DB2 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
HDAC9 Q9UKV0 1/20 0.67
HDAC5 Q9UQL6 1/20 0.67

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
SCHEMBL22874181 0.91 HDAC3 (0.77) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL16636217 0.88 HDAC3 (0.72) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL21698936 0.87 HDAC3 (0.79) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL16644570 0.86 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL4730434 0.86 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL16632136 0.85 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6
SCHEMBL16632314 0.85 HDAC3 (0.82) HDAC3HDAC1HDAC2HDAC6
SCHEMBL16632211 0.84 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL16632111 0.83 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6
SCHEMBL4730187 0.83 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC4

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