SCHEMBL2224313

SCHEMBL2224313

Cc1cccc(C)c1Nc1ncc(C(=O)N(C)C(=O)CCCCCCNO)cn1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.62
SIRT5 Q9NXA8 1/20 0.40
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL2224681 0.84 HDAC6 (0.60) HDAC6HDAC1
SCHEMBL896466 0.77 HDAC6 (1.00) HDAC6
SCHEMBL15725412 0.74 HDAC6 (0.84) HDAC6
SCHEMBL6879907 0.74 HDAC6 (0.77) HDAC6
SCHEMBL2228180 0.74 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2
SCHEMBL15725403 0.72 HDAC6 (0.84) HDAC6HDAC3HDAC1HDAC2
SCHEMBL6879260 0.71 HDAC6 (0.51) HDAC6SIRT5HDAC3HDAC1HDAC2
SCHEMBL6878592 0.69 HDAC6 (0.53) HDAC6HDAC3HDAC1HDAC2
SCHEMBL2225590 0.66 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2
SCHEMBL2229659 0.64 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734500-A2 HISTONE DEACETYLASE 6 SELECTIVE INHIBITORS FOR THE TREATMENT OF BONE DISEASE The General Hospital Corporation (US) 2014-05-28 EP disclosed
WO-2013013113-A2 HISTONE DEACETYLASE 6 SELECTIVE INHIBITORS FOR THE TREATMENT OF BONE DISEASE THE GENERAL HOSPITAL CORPORATION (US) 2013-01-24 WO disclosed
WO-2011091213-A2 REVERSE AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF ACETYLON PHARMACEUTICALS (US) 2011-07-28 WO disclosed