SCHEMBL8575344

SCHEMBL8575344

CCCCCC(=O)C(=NOC(c1ccccc1)(c1ccccc1)c1ccccc1)c1csc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIRT1 Q96EB6 1/20 0.37
MAPT P10636 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CTSK P43235 2/20 0.35
LMNA P02545 1/20 0.35

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
Potassium Ion SCHEMBL8627336 0.87 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL2877169 0.87 GAA (0.43) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL2877172 0.87 GAA (0.43) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL2877170 0.87 GAA (0.43) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL8627333 0.86 GAA (0.43) HDAC3HDAC1HDAC2HDAC10HDAC8
Potassium SCHEMBL8627342 0.86 GAA (0.43) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL8445698 0.81 TSHR (0.47) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL8445699 0.81 TSHR (0.47) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL9364230 0.79 SIRT1 (0.38) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL8441610 0.79 SIRT1 (0.38) HDAC3HDAC1HDAC2HDAC10HDAC8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594263-B1 INTERMEDIATES FOR THE PREPARATION OF THIOALKYLTHIO CEPHALOSPORIN DERIVATIVES SHIONOGI & CO (JP) 1999-06-09 EP disclosed
US-5352792-A Bactericides SHIONOGI & CO., LTD. (JP) 1994-10-04 US disclosed
EP-0467647-B1 Thioalkylthio cephalosporin derivatives SHIONOGI & CO (JP) 1994-08-17 EP disclosed
EP-0594263-A1 Thioalkylthio cephalosporin derivatives and intermediates SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1994-04-27 EP disclosed
US-5214037-A Antibiotic, bactericide SHIONOGI & CO., LTD. (JP) 1993-05-25 US disclosed
EP-0467647-A2 Thioalkylthio cephalosporin derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-01-22 EP disclosed