SCHEMBL4589159

SCHEMBL4589159

CNC(=O)C(O)Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.69
HDAC2 Q92769 6/20 0.66
HDAC3 O15379 3/20 0.66
HDAC4 P56524 2/20 0.66
HDAC7 Q8WUI4 2/20 0.66
HDAC10 Q969S8 2/20 0.66
HDAC11 Q96DB2 2/20 0.66
HDAC8 Q9BY41 2/20 0.66
HDAC6 Q9UBN7 2/20 0.66
HDAC9 Q9UKV0 2/20 0.66
HDAC5 Q9UQL6 2/20 0.66

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
SCHEMBL4586957 0.91 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2684913 0.90 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL14775832 0.87 HDAC1 (0.65) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2695311 0.87 HDAC1 (0.68) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2684783 0.87 HDAC1 (0.65) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4774757 0.87 HDAC1 (0.65) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1689303 0.86 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4505888 0.85 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4520366 0.85 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4517739 0.85 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC4HDAC7

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-1973405-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-01 EP disclosed
WO-2007087130-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO disclosed