SCHEMBL8770039

SCHEMBL8770039

O=C(/C=C/C=C/c1cccc(NS(=O)(=O)c2ccccc2)c1)NO

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 19/20 0.84
▸ HDAC3 O15379 18/20 0.84
▸ HDAC4 P56524 18/20 0.84
▸ HDAC1 Q13547 18/20 0.84
▸ HDAC7 Q8WUI4 18/20 0.84
▸ HDAC2 Q92769 18/20 0.84
▸ HDAC10 Q969S8 18/20 0.84
▸ HDAC11 Q96DB2 18/20 0.84
▸ HDAC6 Q9UBN7 18/20 0.84
▸ HDAC9 Q9UKV0 18/20 0.84
▸ HDAC5 Q9UQL6 18/20 0.84
▸ BRD4 O60885 1/20 0.72
▸ ESR1 P03372 1/20 0.72
▸ PTGS1 P23219 1/20 0.72
▸ PDE4A P27815 1/20 0.72
▸ PIK3CA P42336 1/20 0.72
▸ HTR6 P50406 1/20 0.72
▸ PDE4D Q08499 1/20 0.72
▸ ASPH Q12797 1/20 0.72
▸ MEN1 O00255 1/20 0.58

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
SCHEMBL8770042 1.00 HDAC8 (0.84) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1403249 0.91 HDAC8 (1.00) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1403252 0.91 HDAC8 (1.00) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL8769430 0.87 HDAC1 (0.82) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL8769437 0.87 HDAC1 (0.82) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1403553 0.84 HDAC1 (1.00) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1403555 0.84 HDAC1 (1.00) HDAC8HDAC3HDAC4HDAC1HDAC7
Belinostat SCHEMBL29712104 0.84 HDAC1 (1.00) HDAC8HDAC3HDAC4HDAC1HDAC7
Belinostat SCHEMBL29379950 0.84 HDAC1 (1.00) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL26961093 0.84 HDAC3 (0.58) HDAC8HDAC3HDAC4HDAC1HDAC7

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
EP-0570594-B1 HYDROXAMIC ACID DERIVATIVE BASED ON AROMATIC SULFONAMIDE SHIONOGI & CO (JP) 1997-07-30 — — EP disclosed
US-5534654-A ANTITUMOR, ANTIINFLAMMATORY, INHIBITOR OF LYMPHOCYTE ADHESIVE FACTORS SHIONOGI & CO., LTD. (JP) 1996-07-09 — — US disclosed
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