SCHEMBL4749148

SCHEMBL4749148

O=C(Oc1ccc(-c2cc(=S)ss2)cc1)c1ccccc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.52
HDAC4 P56524 9/20 0.52
HDAC1 Q13547 9/20 0.52
HDAC7 Q8WUI4 9/20 0.52
HDAC2 Q92769 9/20 0.52
HDAC10 Q969S8 9/20 0.52
HDAC11 Q96DB2 9/20 0.52
HDAC8 Q9BY41 9/20 0.52
HDAC6 Q9UBN7 9/20 0.52
HDAC9 Q9UKV0 9/20 0.52
HDAC5 Q9UQL6 9/20 0.52
TRAP1 Q12931 1/20 0.50
SLC6A2 P23975 2/20 0.47
SLC6A3 Q01959 2/20 0.47
MEN1 O00255 1/20 0.47
PGR P06401 1/20 0.47
ADRB2 P07550 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
MAOA P21397 1/20 0.47
TBXA2R P21731 1/20 0.47

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
SCHEMBL4204139 0.85 HPGD (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15246662 0.84 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2884335 0.83 PTGS2 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15914501 0.82 TRAP1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14714191 0.82 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10045885 0.81 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15914502 0.81 TRAP1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3453990 0.78 HSD17B10 (0.61) HDAC6SLC6A2SLC6A3MEN1ADORA3
SCHEMBL10045853 0.77 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5925218 0.76 HDAC6 (0.47) 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-2008122356-A1 CARDIOVASCULAR AGENTS CTG PHARMA S.R.L. (IT) 2008-10-16 WO claimed