SCHEMBL4556769

SCHEMBL4556769

O=C(O)c1ccc(-c2cc(=S)ss2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.61
HDAC6 Q9UBN7 10/20 0.61
HDAC3 O15379 9/20 0.61
HDAC4 P56524 9/20 0.61
HDAC7 Q8WUI4 9/20 0.61
HDAC2 Q92769 9/20 0.61
HDAC10 Q969S8 9/20 0.61
HDAC11 Q96DB2 9/20 0.61
HDAC8 Q9BY41 9/20 0.61
HDAC9 Q9UKV0 9/20 0.61
HDAC5 Q9UQL6 9/20 0.61
MEN1 O00255 1/20 0.51
PGR P06401 1/20 0.51
ADRB2 P07550 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
MAOA P21397 1/20 0.51
TBXA2R P21731 1/20 0.51
SLC6A2 P23975 1/20 0.51
NPY1R P25929 1/20 0.51
ADORA2A P29274 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
SCHEMBL15931886 0.84 HDAC6 (0.59) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL21498359 0.80 HDAC3 (0.54) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL15928822 0.80 HDAC6 (0.54) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL5809506 0.79 RAB9A (0.48) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL5809509 0.79 RAB9A (0.48) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL2428473 0.76 HDAC3 (1.00) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL596141 0.76 HDAC3 (0.63) HDAC1HDAC6HDAC3HDAC4HDAC7
Anetholtrithion SCHEMBL10481903 0.75 MEN1 (0.81) HDAC1HDAC6HDAC3HDAC4HDAC7
Anetholtrithion SCHEMBL9846788 0.75 MEN1 (0.81) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL15951657 0.73 MEN1 (0.63) HDAC1HDAC6HDAC3HDAC4HDAC7

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-2009037556-A1 NEW AGENTS FOR THE TREATMENT OF THE LOW URINARY TRACT DYSFUNCTIONS CTG PHARMA S.R.L. (IT) 2009-03-26 WO disclosed
EP-1980559-A1 Cardiovascular agents CTG Pharma S.r.l. (IT) 2008-10-15 EP disclosed