SCHEMBL9364230

SCHEMBL9364230

CC(C)(C)OC(=O)Nc1nc(C([C]=O)=NOC(c2ccccc2)(c2ccccc2)c2ccccc2)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HDAC3 O15379 4/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC8 Q9BY41 2/20 0.37
PI4KB Q9UBF8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
LCK P06239 2/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 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
SCHEMBL8441610 1.00 SIRT1 (0.38) SIRT1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL2877170 0.86 GAA (0.43) SIRT1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL2877169 0.86 GAA (0.43) SIRT1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL2877172 0.86 GAA (0.43) SIRT1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL8627333 0.85 GAA (0.43) SIRT1NPC1RAB9ASMN1; SMN2HDAC3
Potassium SCHEMBL8627342 0.85 GAA (0.43) SIRT1NPC1RAB9ASMN1; SMN2HDAC3
Potassium Ion SCHEMBL8627336 0.84 HDAC3 (0.39) SIRT1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL8443325 0.83 PI4KB (0.39) SIRT1HDAC3HDAC1HDAC2HDAC10
SCHEMBL8441965 0.83 LMNA (0.40) SIRT1HDAC3HDAC1HDAC2HDAC10
SCHEMBL10978294 0.83 LMNA (0.40) SIRT1HDAC3HDAC1HDAC2HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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