SCHEMBL8283786

SCHEMBL8283786

O=C(/C=C/c1ccc2c(NS(=O)(=O)c3ccccc3)cccc2c1)NO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.64
HDAC8 Q9BY41 14/20 0.64
HDAC3 O15379 13/20 0.64
HDAC4 P56524 13/20 0.64
HDAC7 Q8WUI4 13/20 0.64
HDAC2 Q92769 13/20 0.64
HDAC10 Q969S8 13/20 0.64
HDAC11 Q96DB2 13/20 0.64
HDAC6 Q9UBN7 13/20 0.64
HDAC9 Q9UKV0 13/20 0.64
HDAC5 Q9UQL6 13/20 0.64
BRD4 O60885 1/20 0.61
ESR1 P03372 1/20 0.61
PTGS1 P23219 1/20 0.61
PDE4A P27815 1/20 0.61
PIK3CA P42336 1/20 0.61
HTR6 P50406 1/20 0.61
PDE4D Q08499 1/20 0.61
ASPH Q12797 1/20 0.61
RECQL P46063 1/20 0.54

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
SCHEMBL1403367 0.87 HDAC1 (0.69) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL1403365 0.87 HDAC1 (0.69) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL1403252 0.78 HDAC8 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL1403249 0.78 HDAC8 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL1403105 0.78 KMT2A (0.64) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL1403106 0.78 KMT2A (0.64) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL1403258 0.78 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL1403256 0.78 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL1402938 0.77 HDAC1 (0.72) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL1402937 0.77 HDAC1 (0.72) HDAC1HDAC8HDAC3HDAC4HDAC7

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
WO-2005061448-A1 COMPOSITIONS AND METHODS FOR TREATING VASCULAR CONDITIONS MONASH UNIVERSITY (AU) 2005-07-07 WO disclosed
WO-2005025557-A1 AN AGENT FOR PLASMINOGEN-ACTIVATION AND MATRIX METALLOPROTEINASE ASSOCIATED CONDITIONS AND METHODS OF USE MONASH UNIVERSITY (AU) 2005-03-24 WO disclosed