SCHEMBL9650989

SCHEMBL9650989

CO/N=C(\C([NH])=O)c1csc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
PI4KB Q9UBF8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
SIRT1 Q96EB6 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
LCK P06239 4/20 0.35
ABCB1 P08183 2/20 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
SCHEMBL8983114 1.00 LMNA (0.48) LMNAGAAMAPTPI4KBL3MBTL1
SCHEMBL6051342 0.89 LMNA (0.61) LMNAGAAMAPTPI4KBL3MBTL1
SCHEMBL31264442 0.89 LMNA (0.61) LMNAGAAMAPTPI4KBL3MBTL1
SCHEMBL6051333 0.89 LMNA (0.61) LMNAGAAMAPTPI4KBL3MBTL1
SCHEMBL9650999 0.88 LMNA (0.48) LMNAGAAMAPTPI4KBL3MBTL1
SCHEMBL8983006 0.88 MAPT (0.51) LMNAGAAMAPTPI4KBL3MBTL1
SCHEMBL8983012 0.88 MAPT (0.51) LMNAGAAMAPTPI4KBL3MBTL1
SCHEMBL9060569 0.87 LMNA (0.50) LMNAGAAMAPTPI4KBL3MBTL1
SCHEMBL9060577 0.87 LMNA (0.50) LMNAGAAMAPTPI4KBL3MBTL1
SCHEMBL8982981 0.86 PI4KB (0.37) LMNAGAAMAPTPI4KBL3MBTL1

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
US-5134138-A ANTIBIOTICS SHIONOGI & CO., LTD. (JP) 1992-07-28 US disclosed
EP-0409164-A2 Phenacylpyridiniothiocephalosporins SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1991-01-23 EP disclosed