SCHEMBL8983012

SCHEMBL8983012

CON=C(C(=O)Cl)c1csc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
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
ABCB1 P08183 2/20 0.37
LCK P06239 3/20 0.36
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
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 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
SCHEMBL8983006 1.00 MAPT (0.51) MAPTLMNAGAAPI4KBL3MBTL1
SCHEMBL6051342 0.89 LMNA (0.61) MAPTLMNAGAAPI4KBL3MBTL1
SCHEMBL31264442 0.89 LMNA (0.61) MAPTLMNAGAAPI4KBL3MBTL1
SCHEMBL6051333 0.89 LMNA (0.61) MAPTLMNAGAAPI4KBL3MBTL1
SCHEMBL9650999 0.88 LMNA (0.48) MAPTLMNAGAAPI4KBL3MBTL1
SCHEMBL8983114 0.88 LMNA (0.48) MAPTLMNAGAAPI4KBL3MBTL1
SCHEMBL9650989 0.88 LMNA (0.48) MAPTLMNAGAAPI4KBL3MBTL1
SCHEMBL9060569 0.87 LMNA (0.50) MAPTLMNAGAAPI4KBL3MBTL1
SCHEMBL9060577 0.87 LMNA (0.50) MAPTLMNAGAAPI4KBL3MBTL1
SCHEMBL20854645 0.86 USP2 (0.40) MAPTLMNAGAAPI4KBL3MBTL1

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-0409164-B1 Phenacylpyridiniothiocephalosporins SHIONOGI & CO (JP) 1996-06-05 EP disclosed
EP-0416410-B1 Piperaziniocephalosporins SHIONOGI & CO (JP) 1994-11-30 EP disclosed
US-5143910-A PIPERAZINIOCEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1992-09-01 US disclosed
US-5134138-A ANTIBIOTICS SHIONOGI & CO., LTD. (JP) 1992-07-28 US disclosed
EP-0416410-A1 Piperaziniocephalosporins SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1991-03-13 EP disclosed
EP-0409164-A2 Phenacylpyridiniothiocephalosporins SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1991-01-23 EP disclosed