SCHEMBL469784

SCHEMBL469784

O=C(NO)c1ccc2c(c1)CC(Nc1ccc(NO)cn1)CC2

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 20/20 0.71
HDAC6 Q9UBN7 9/20 0.69
HDAC1 Q13547 2/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55

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
SCHEMBL15680661 0.87 HDAC8 (0.71) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL443904 0.83 HDAC8 (1.00) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL442640 0.82 HDAC8 (1.00) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL445295 0.81 HDAC8 (1.00) HDAC8HDAC6
SCHEMBL443071 0.80 HDAC8 (1.00) HDAC8HDAC6
SCHEMBL355809 0.79 HDAC8 (0.76) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL445406 0.79 HDAC8 (1.00) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL10253392 0.79 HDAC8 (0.80) HDAC8HDAC6
SCHEMBL447086 0.79 HDAC8 (0.80) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL444505 0.76 HDAC8 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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