SCHEMBL2978679

SCHEMBL2978679

CN1CCCC(n2c3c(c4ccccc42)CCN(c2ncc(C(=O)NO)cn2)C3)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.47
HDAC1 Q13547 14/20 0.47
HDAC8 Q9BY41 12/20 0.47
HDAC10 Q969S8 9/20 0.47
HDAC3 O15379 8/20 0.47
HDAC2 Q92769 8/20 0.47
HDAC4 P56524 6/20 0.47
HDAC7 Q8WUI4 6/20 0.47
HDAC11 Q96DB2 6/20 0.47
HDAC9 Q9UKV0 6/20 0.47
HDAC5 Q9UQL6 6/20 0.47
NCOR2 Q9Y618 4/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
KDM1A O60341 1/20 0.38

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
SCHEMBL2973507 0.82 HDAC6 (0.54) HDAC6HDAC1HDAC8HDAC10HDAC3
SCHEMBL2971987 0.78 HDAC6 (0.46) HDAC6HDAC1HDAC8HDAC10HDAC3
SCHEMBL2972874 0.77 HDAC6 (0.52) HDAC6HDAC1HDAC8HDAC10HDAC3
SCHEMBL2979875 0.77 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC10HDAC3
SCHEMBL2980297 0.76 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC10HDAC3
SCHEMBL3054785 0.76 HDAC6 (0.52) HDAC6HDAC1HDAC8HDAC10HDAC3
SCHEMBL2981260 0.74 HDAC6 (0.67) HDAC6HDAC1HDAC8HDAC10HDAC3
SCHEMBL2975842 0.74 HDAC6 (0.50) HDAC6HDAC1HDAC8HDAC10HDAC3
SCHEMBL2970472 0.73 HTR6 (0.48) HDAC6HDAC1HDAC8HDAC10HDAC3
SCHEMBL6013779 0.71 HDAC6 (0.43) HDAC6HDAC1HDAC8HDAC10HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US claimed
JP-2008530136-A 2008-08-07 JP claimed
EP-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP claimed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO claimed
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
EP-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO disclosed