SCHEMBL7008411

SCHEMBL7008411

NC(=O)/C=C(\O)c1ccc(CNCCc2coc3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.60
HDAC3 O15379 2/20 0.60
HDAC4 P56524 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
OPRM1 P35372 3/20 0.42
OPRD1 P41143 3/20 0.42
OPRK1 P41145 3/20 0.42
NQO2 P16083 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL7008414 0.81 HDAC1 (0.66) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL5683655 0.79 KMT2A (0.65) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL310002 0.75 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL310001 0.75 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL164802 0.73 HDAC1 (0.70) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL3261132 0.73 HDAC1 (0.70) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL31369764 0.72 HDAC3 (0.54) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL23055056 0.69 HDAC1 (0.59) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL9747807 0.68 HDAC3 (0.51) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL11365468 0.67 MAOB (0.51) HDAC1HDAC3HDAC4HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318980-A2 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS Novartis AG (CH) 2003-06-18 EP claimed
WO-2002022577-A2 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS NOVARTIS AG (CH) 2002-03-21 WO claimed