SCHEMBL456939

SCHEMBL456939

O=C(O)c1ccc2c(c1)CC(Nc1ccccn1)CC2

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 20/20 0.79
HDAC6 Q9UBN7 10/20 0.79
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL442640 0.88 HDAC8 (1.00) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL454160 0.78 HDAC8 (0.81) HDAC8HDAC6
SCHEMBL445406 0.76 HDAC8 (1.00) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL464156 0.75 HDAC8 (0.73) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL442641 0.74 HDAC8 (0.52) HDAC8HDAC6
SCHEMBL447086 0.72 HDAC8 (0.80) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL15906487 0.72 HDAC8 (0.57) HDAC8HDAC6
SCHEMBL354116 0.71 MTNR1A (0.48) HDAC8HDAC6
SCHEMBL462300 0.71 HDAC8 (0.81) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL15594516 0.70 HDAC8 (0.50) HDAC8HDAC6

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-2613775-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP disclosed
WO-2012031993-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed