SCHEMBL2210370

SCHEMBL2210370

Cc1cccc([PH](=O)O)c1Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cn1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 10/20 0.54
HDAC3 O15379 6/20 0.54
HDAC1 Q13547 16/20 0.53
HDAC4 P56524 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
KCNH2 Q12809 3/20 0.51

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
SCHEMBL2212146 0.87 HDAC1 (0.53) HDAC2HDAC3HDAC1KCNH2
SCHEMBL4327629 0.87 HDAC1 (0.56) HDAC2HDAC3HDAC1HDAC4HDAC7
SCHEMBL2208395 0.85 HDAC1 (0.62) HDAC2HDAC3HDAC1HDAC4HDAC7
SCHEMBL2208566 0.82 HDAC1 (0.64) HDAC2HDAC3HDAC1HDAC4HDAC7
SCHEMBL4328973 0.82 HDAC1 (0.63) HDAC2HDAC3HDAC1HDAC4HDAC7
SCHEMBL2209273 0.79 HDAC1 (0.61) HDAC2HDAC3HDAC1HDAC4HDAC7
SCHEMBL2311100 0.78 HDAC1 (0.59) HDAC2HDAC3HDAC1HDAC4HDAC7
SCHEMBL4419408 0.78 HDAC1 (0.73) HDAC2HDAC3HDAC1HDAC4HDAC7
SCHEMBL4313559 0.78 HDAC1 (0.64) HDAC2HDAC3HDAC1HDAC4HDAC7
SCHEMBL2208608 0.77 HDAC1 (0.62) HDAC2HDAC3HDAC1HDAC4HDAC7

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
US-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 US claimed
US-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 US disclosed