SCHEMBL15899653

SCHEMBL15899653

O=C(NO)Oc1ccc2c(c1)CC(Nc1nccc(-c3ccc(F)c(Cl)c3)n1)CC2

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 20/20 0.75
HDAC6 Q9UBN7 7/20 0.61
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51

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
SCHEMBL15899668 0.91 HDAC8 (0.73) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL15899691 0.89 HDAC8 (0.73) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL15899830 0.88 HDAC8 (0.74) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL15899724 0.88 HDAC8 (0.75) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL442448 0.86 HDAC8 (1.00) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL15899735 0.85 HDAC8 (0.74) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL15899649 0.85 HDAC8 (0.74) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL15899659 0.84 HDAC8 (0.74) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL15899664 0.84 HDAC8 (0.74) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL15899722 0.84 HDAC8 (0.79) HDAC8HDAC6HDAC1HDAC7HDAC9

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-2613775-B1 N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-07-30 EP claimed