SCHEMBL4423738

SCHEMBL4423738

N#CC(O[PH](=O)O)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.60
HDAC2 Q92769 7/20 0.60
HDAC3 O15379 3/20 0.60
KCNH2 Q12809 2/20 0.60
HDAC4 P56524 2/20 0.60
HDAC7 Q8WUI4 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
HDAC5 Q9UQL6 2/20 0.60

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
SCHEMBL4423731 0.94 HDAC1 (0.61) HDAC1HDAC2HDAC3KCNH2HDAC4
SCHEMBL2211616 0.84 KCNH2 (0.60) HDAC1HDAC2HDAC3KCNH2HDAC4
SCHEMBL4429030 0.83 HDAC1 (0.67) HDAC1HDAC2HDAC3KCNH2HDAC4
SCHEMBL4311704 0.81 HDAC1 (0.65) HDAC1HDAC2HDAC3KCNH2HDAC4
SCHEMBL2209809 0.81 KCNH2 (0.68) HDAC1HDAC2HDAC3KCNH2HDAC4
SCHEMBL2211783 0.80 KCNH2 (0.67) HDAC1HDAC2HDAC3KCNH2HDAC4
SCHEMBL2207045 0.80 KCNH2 (0.67) HDAC1HDAC2HDAC3KCNH2HDAC4
SCHEMBL2211609 0.80 KCNH2 (0.60) HDAC1HDAC2HDAC3KCNH2HDAC4
SCHEMBL2208932 0.80 HDAC1 (0.60) HDAC1HDAC2HDAC3KCNH2HDAC4
SCHEMBL2211605 0.80 KCNH2 (0.60) HDAC1HDAC2HDAC3KCNH2HDAC4

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