SCHEMBL5807573

SCHEMBL5807573

O=C1O[C@@H](CN=C=S)CN1c1ccc(N2CCN(c3ccc([N+](=O)[O-])s3)CC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.45
MAOA P21397 4/20 0.45
F10 P00742 9/20 0.44
LMNA P02545 1/20 0.44
PTGS1 P23219 1/20 0.44
CALML3 P27482 1/20 0.44
SDHA P31040 1/20 0.44

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
SCHEMBL6510766 1.00 MAOB (0.45) MAOBMAOAF10LMNAPTGS1
SCHEMBL5808176 0.88 MAOB (0.51) MAOBMAOAF10LMNAPTGS1
SCHEMBL5799591 0.88 MAOB (0.48) MAOBMAOAF10LMNAPTGS1
SCHEMBL6508885 0.88 MAOB (0.48) MAOBMAOAF10LMNAPTGS1
SCHEMBL6511735 0.85 MAOB (0.50) MAOBMAOAF10LMNAPTGS1
SCHEMBL6512465 0.84 MAOB (0.60) MAOBMAOAF10LMNAPTGS1
SCHEMBL5822534 0.84 MAOB (0.49) MAOBMAOAF10LMNAPTGS1
SCHEMBL5812330 0.84 MAOB (0.47) MAOBMAOAF10LMNAPTGS1
SCHEMBL6509777 0.84 MAOB (0.51) MAOBMAOAF10LMNAPTGS1
SCHEMBL6511507 0.84 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006043121-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2006-04-27 WO disclosed