SCHEMBL8769430

SCHEMBL8769430

O=C(/C=C/C=C/c1ccc(NS(=O)(=O)c2ccccc2)cc1)NO

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 19/20 0.82
▸ HDAC8 Q9BY41 14/20 0.82
▸ HDAC4 P56524 13/20 0.82
▸ HDAC3 O15379 11/20 0.82
▸ HDAC7 Q8WUI4 11/20 0.82
▸ HDAC2 Q92769 11/20 0.82
▸ HDAC10 Q969S8 11/20 0.82
▸ HDAC11 Q96DB2 11/20 0.82
▸ HDAC6 Q9UBN7 11/20 0.82
▸ HDAC9 Q9UKV0 11/20 0.82
▸ HDAC5 Q9UQL6 11/20 0.82
▸ BRD4 O60885 1/20 0.63
▸ ESR1 P03372 1/20 0.63
▸ PTGS1 P23219 1/20 0.63
▸ PDE4A P27815 1/20 0.63
▸ PIK3CA P42336 1/20 0.63
▸ HTR6 P50406 1/20 0.63
▸ PDE4D Q08499 1/20 0.63
▸ ASPH Q12797 1/20 0.63

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
SCHEMBL8769437 1.00 HDAC1 (0.82) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL1403258 0.90 HDAC1 (1.00) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL1403256 0.90 HDAC1 (1.00) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL8770042 0.87 HDAC8 (0.84) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL8770039 0.87 HDAC8 (0.84) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL1287618 0.85 HDAC1 (1.00) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL1287621 0.85 HDAC1 (1.00) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL1403353 0.83 HDAC1 (1.00) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL1403352 0.83 HDAC1 (1.00) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL1403504 0.83 HDAC1 (1.00) HDAC1HDAC8HDAC4HDAC3HDAC7

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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