SCHEMBL8445706

SCHEMBL8445706

O=C1O[C@H](CCS(=O)(=O)O)CN1c1ccc(N2CCSC2)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.58
MAOA P21397 5/20 0.58
F10 P00742 7/20 0.54
LMNA P02545 1/20 0.48
PTGS1 P23219 1/20 0.48
CALML3 P27482 1/20 0.48
SDHA P31040 1/20 0.48

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
SCHEMBL8445711 1.00 MAOB (0.58) MAOBMAOAF10LMNAPTGS1
SCHEMBL8305130 0.86 MAOB (0.64) MAOBMAOAF10LMNAPTGS1
SCHEMBL8305126 0.86 MAOB (0.64) MAOBMAOAF10LMNAPTGS1
SCHEMBL5102142 0.85 MAOB (0.55) MAOBMAOAF10LMNAPTGS1
SCHEMBL5102151 0.85 MAOB (0.55) MAOBMAOAF10LMNAPTGS1
SCHEMBL27349624 0.83 CALML3 (0.46) MAOBMAOAF10LMNAPTGS1
SCHEMBL5098052 0.82 MAOB (0.49) MAOBMAOAF10LMNAPTGS1
SCHEMBL5098043 0.82 MAOB (0.49) MAOBMAOAF10LMNAPTGS1
SCHEMBL5098045 0.82 MAOB (0.49) MAOBMAOAF10LMNAPTGS1
SCHEMBL7811251 0.82 MAOB (0.51) MAOBMAOAF10LMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1057087-C Substituted oxazine and thiazine oxazolidinone antimicrobials UPJOHN CO (US) 2000-10-04 CN disclosed
EP-0717738-B1 SUBSTITUTED OXAZINE AND THIAZINE OXAZOLIDINONE ANTIMICROBIALS UPJOHN CO (US) 1999-10-20 EP disclosed
CN-1130379-A Substituted oxazine and thiazine oxazolidinone antimicrobials UPJOHN CO (US) 1996-09-04 CN disclosed