SCHEMBL15513014

SCHEMBL15513014

CCC(=O)CCCCC[C@H](NC(=O)CN(C)C)c1ncc(-c2ccc3ccccc3c2)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.70
HDAC3 O15379 8/20 0.70
HDAC6 Q9UBN7 7/20 0.70
HDAC2 Q92769 4/20 0.70
HDAC4 P56524 2/20 0.70
HDAC7 Q8WUI4 2/20 0.70
HDAC10 Q969S8 2/20 0.70
HDAC11 Q96DB2 2/20 0.70
HDAC8 Q9BY41 2/20 0.70
HDAC9 Q9UKV0 2/20 0.70
HDAC5 Q9UQL6 2/20 0.70

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
Trifluoroacetic Acid SCHEMBL2074023 0.94 HDAC1 (0.64) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL15512852 0.93 HDAC1 (0.70) HDAC1HDAC3HDAC6HDAC2HDAC4
Hydrochloric Acid SCHEMBL2072806 0.92 HDAC1 (0.69) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL15513001 0.90 HDAC1 (0.72) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL15512841 0.89 HDAC1 (0.69) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL15512687 0.89 HDAC1 (0.71) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL5278889 0.89 HDAC1 (0.72) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL2073554 0.89 HDAC1 (0.76) HDAC1HDAC3HDAC6HDAC2HDAC4
SCHEMBL15513604 0.89 HDAC1 (0.76) HDAC1HDAC3HDAC6HDAC2HDAC4
Trifluoroacetic Acid SCHEMBL2074536 0.88 HDAC1 (0.64) HDAC1HDAC3HDAC6HDAC2HDAC4

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
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP claimed