SCHEMBL4419353

SCHEMBL4419353

CCOP(=O)(Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1)OC

nearest known ligand 0.91

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.91
HDAC2 Q92769 4/20 0.76
HDAC3 O15379 2/20 0.76
HDAC8 Q9BY41 2/20 0.76
HDAC4 P56524 1/20 0.65
HDAC7 Q8WUI4 1/20 0.65
HDAC10 Q969S8 1/20 0.65
HDAC11 Q96DB2 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
HDAC9 Q9UKV0 1/20 0.65
HDAC5 Q9UQL6 1/20 0.65

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
SCHEMBL2211681 0.95 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8
SCHEMBL2210709 0.93 HDAC1 (0.84) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL12434649 0.92 HDAC1 (0.77) HDAC1HDAC2HDAC3HDAC8
SCHEMBL4328996 0.91 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL2206262 0.91 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL2209296 0.91 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL2209245 0.90 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8
SCHEMBL2209272 0.89 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8
SCHEMBL2206451 0.89 HDAC1 (0.72) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL2212087 0.88 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009544611-A 2009-12-17 JP claimed
EP-2049124-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Merck & Co., Inc. (US) 2009-04-22 EP claimed
WO-2008010985-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2008-01-24 WO claimed
EP-2049124-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Merck & Co., Inc. (US) 2009-04-22 EP disclosed
WO-2008010985-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2008-01-24 WO disclosed