SCHEMBL19240

SCHEMBL19240

O=C(/C=C/c1ccc(CN2CCC[C@H]2C(=O)C2CNc3ccccc32)cc1)NO

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.47
KCNH2 Q12809 8/20 0.47
HDAC6 Q9UBN7 8/20 0.45
HDAC8 Q9BY41 6/20 0.45
HDAC2 Q92769 5/20 0.45
HDAC3 O15379 5/20 0.45
HDAC4 P56524 5/20 0.45
HDAC5 Q9UQL6 4/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
F2 P00734 1/20 0.40

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
SCHEMBL19044 1.00 HDAC1 (0.47) HDAC1KCNH2HDAC6HDAC8HDAC2
SCHEMBL19479 0.82 HDAC1 (0.53) HDAC1KCNH2HDAC6HDAC8HDAC2
SCHEMBL29955 0.73 HDAC1 (0.63) HDAC1KCNH2HDAC6HDAC8HDAC2
SCHEMBL28840 0.73 HDAC1 (0.63) HDAC1KCNH2HDAC6HDAC8HDAC2
SCHEMBL28842 0.73 HDAC1 (0.63) HDAC1KCNH2HDAC6HDAC8HDAC2
SCHEMBL29956 0.73 HDAC1 (0.63) HDAC1KCNH2HDAC6HDAC8HDAC2
SCHEMBL28841 0.73 HDAC1 (0.63) HDAC1KCNH2HDAC6HDAC8HDAC2
SCHEMBL2733125 0.72 HDAC1 (0.64) HDAC1KCNH2HDAC6HDAC8HDAC2
SCHEMBL20023 0.72 HDAC1 (0.64) HDAC1KCNH2HDAC6HDAC8HDAC2
SCHEMBL2732655 0.72 GPBAR1 (0.52) HDAC1KCNH2HDAC6HDAC8HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609078-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES Novartis AG (CH) 2013-07-03 EP claimed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO claimed
EP-2609078-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES Novartis AG (CH) 2013-07-03 EP disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed