SCHEMBL8441965

SCHEMBL8441965

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
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 3/20 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
SCHEMBL10978294 1.00 LMNA (0.40) LMNAGAAMAPTPI4KBL3MBTL1
SCHEMBL10978291 1.00 LMNA (0.40) LMNAGAAMAPTPI4KBL3MBTL1
SCHEMBL8443325 0.86 PI4KB (0.39) PI4KBL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL8442673 0.84 SMN1; SMN2 (0.39) PI4KBL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL8442552 0.84 PI4KB (0.37) PI4KBL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL9364230 0.83 SIRT1 (0.38) LMNAGAAPI4KBL3MBTL1HDAC3
SCHEMBL8441610 0.83 SIRT1 (0.38) LMNAGAAPI4KBL3MBTL1HDAC3
SCHEMBL6051333 0.82 LMNA (0.61) LMNAGAAMAPTPI4KBL3MBTL1
SCHEMBL6051342 0.82 LMNA (0.61) LMNAGAAMAPTPI4KBL3MBTL1
SCHEMBL31264442 0.82 LMNA (0.61) 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 9 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
US-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed