SCHEMBL2301667

SCHEMBL2301667

Cc1cc(F)ccc1P(=O)(O)Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.69
HDAC2 Q92769 3/20 0.58

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
SCHEMBL4318032 0.87 HDAC1 (0.84) HDAC1HDAC2
SCHEMBL2212336 0.83 HDAC1 (0.75) HDAC1HDAC2
SCHEMBL2209817 0.83 HDAC1 (0.80) HDAC1HDAC2
SCHEMBL2207647 0.82 HDAC1 (0.80) HDAC1HDAC2
SCHEMBL2209766 0.82 HDAC1 (0.73) HDAC1HDAC2
SCHEMBL2209349 0.82 HDAC1 (1.00) HDAC1HDAC2
SCHEMBL2209250 0.82 HDAC1 (0.81) HDAC1HDAC2
SCHEMBL2209626 0.81 HDAC1 (0.72) HDAC1HDAC2
SCHEMBL1066522 0.81 HDAC1 (0.80) HDAC1HDAC2
SCHEMBL2206749 0.81 HDAC1 (0.83) HDAC1HDAC2

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 1 patent. 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 disclosed