SCHEMBL2206935

SCHEMBL2206935

CCP(=O)(O)CCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.74
HDAC2 Q92769 4/20 0.67
HDAC3 O15379 1/20 0.64
HDAC8 Q9BY41 1/20 0.64

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
SCHEMBL2210607 0.94 HDAC1 (0.72) HDAC1HDAC2HDAC3HDAC8
SCHEMBL2206749 0.90 HDAC1 (0.83) HDAC1HDAC2
SCHEMBL2209972 0.90 HDAC1 (0.71) HDAC1HDAC2HDAC3
SCHEMBL2206488 0.90 HDAC1 (0.71) HDAC1HDAC2HDAC3
SCHEMBL2210925 0.89 HDAC1 (0.65) HDAC1HDAC2HDAC3HDAC8
SCHEMBL2207206 0.89 HDAC1 (0.72) HDAC1HDAC2HDAC3
SCHEMBL4311544 0.89 HDAC1 (0.64) HDAC1HDAC2HDAC3
SCHEMBL8219790 0.86 HDAC1 (0.83) HDAC1HDAC2HDAC3HDAC8
SCHEMBL4421191 0.86 HDAC1 (0.78) HDAC1HDAC2HDAC3HDAC8
SCHEMBL2207395 0.86 HDAC1 (0.73) 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 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