SCHEMBL8769598

SCHEMBL8769598

COc1cc(/C=C/C=C/C(=O)NO)c(NS(=O)(=O)c2ccccc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.52
HDAC4 P56524 14/20 0.52
HDAC3 O15379 11/20 0.52
HDAC7 Q8WUI4 11/20 0.52
HDAC2 Q92769 11/20 0.52
HDAC10 Q969S8 11/20 0.52
HDAC11 Q96DB2 11/20 0.52
HDAC8 Q9BY41 11/20 0.52
HDAC6 Q9UBN7 11/20 0.52
HDAC9 Q9UKV0 11/20 0.52
HDAC5 Q9UQL6 11/20 0.52
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.45
SNCA P37840 1/20 0.45
BRD4 O60885 1/20 0.45
ESR1 P03372 1/20 0.45
PTGS1 P23219 1/20 0.45

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
SCHEMBL8769603 1.00 HDAC1 (0.52) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8769981 0.92 HDAC1 (0.57) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8769988 0.92 HDAC1 (0.57) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8769801 0.84 HDAC1 (0.52) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8769418 0.84 HDAC1 (0.52) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8769804 0.84 HDAC1 (0.52) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8770040 0.81 HDAC8 (0.56) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8770044 0.81 HDAC8 (0.56) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8770110 0.80 HDAC8 (0.55) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8770106 0.80 HDAC8 (0.55) HDAC1HDAC4HDAC3HDAC7HDAC2

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 3 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
EP-0570594-A1 HYDROXAMIC ACID DERIVATIVE BASED ON AROMATIC SULFONAMIDE SHIONOGI & CO., LTD. (JP) 1993-11-24 EP disclosed