SCHEMBL13019752

SCHEMBL13019752

O=C(/C=C/c1cccn(CCCc2ccccc2)c1=O)NO

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 20/20 0.83
HDAC4 P56524 20/20 0.83
HDAC1 Q13547 20/20 0.83
HDAC7 Q8WUI4 20/20 0.83
HDAC2 Q92769 20/20 0.83
HDAC10 Q969S8 20/20 0.83
HDAC11 Q96DB2 20/20 0.83
HDAC8 Q9BY41 20/20 0.83
HDAC6 Q9UBN7 20/20 0.83
HDAC5 Q9UQL6 20/20 0.83
HDAC9 Q9UKV0 19/20 0.83
NCOR2 Q9Y618 2/20 0.77

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
SCHEMBL13020303 0.93 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13019409 0.93 HDAC3 (0.82) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13019761 0.91 HDAC3 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13020391 0.91 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13020301 0.90 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13020374 0.90 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13019960 0.90 HDAC3 (0.84) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13019765 0.90 HDAC3 (0.82) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13020394 0.88 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13019956 0.88 HDAC3 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2010140835-A2 NOVEL PYRIDONE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PRODUCING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR TREATING CANCER 연세대학교 산학협력단 (KR) 2010-12-09 WO disclosed