SCHEMBL3433435

SCHEMBL3433435

COC(=O)c1cc(-c2ccc(N3CC(CNC(C)=O)OC3=O)cc2F)cnc1O[C@@H]1COc2nc([N+](=O)[O-])cn2C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.46
MAOB P27338 3/20 0.41
CALML3 P27482 3/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
SDHA P31040 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL3196364 1.00 MAOA (0.46) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL3196372 1.00 MAOA (0.46) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL3200391 0.94 MAOA (0.46) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL3200394 0.94 MAOA (0.46) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL3201167 0.93 MAOA (0.49) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL3201174 0.93 MAOA (0.49) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL3209291 0.89 MAOA (0.49) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL3209292 0.89 MAOA (0.49) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL3212196 0.89 MAOA (0.49) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL3212190 0.89 MAOA (0.49) MAOAMAOBCALML3LMNAPTGS1

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
EP-2254892-A1 BICYCLIC NITROIMIDAZOLES COVALENTLY LINKED TO SUBSTITUTED PHENYL OXAZOLIDINONES Global Alliance For Tb Drug Development (US) 2010-12-01 EP claimed
WO-2009120789-A1 BICYCLIC NITROIMIDAZOLES COVALENTLY LINKED TO SUBSTITUTED PHENYL OXAZOLIDINONES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2009-10-01 WO claimed