SCHEMBL13428828

SCHEMBL13428828

C#CCNNCNc1ccc(N2C[C@H](CNC(=S)C(F)F)OC2=O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.47
MAOB P27338 5/20 0.47
MAOA P21397 4/20 0.47
PTGS1 P23219 2/20 0.47
SDHA P31040 2/20 0.47
LMNA P02545 1/20 0.47
CALML3 P27482 1/20 0.47

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
SCHEMBL13428827 0.86 F10 (0.49) F10MAOBMAOAPTGS1SDHA
SCHEMBL13428696 0.80 MAOA (0.60) F10MAOBMAOAPTGS1SDHA
SCHEMBL13428219 0.79 MAOA (0.61) F10MAOBMAOAPTGS1SDHA
SCHEMBL13428373 0.78 MAOA (0.64) F10MAOBMAOAPTGS1SDHA
SCHEMBL13428640 0.78 MAOB (0.50) F10MAOBMAOAPTGS1SDHA
SCHEMBL13428548 0.78 MAOA (0.61) F10MAOBMAOAPTGS1SDHA
SCHEMBL13428249 0.77 MAOA (0.62) F10MAOBMAOAPTGS1SDHA
SCHEMBL13428443 0.77 MAOA (0.65) F10MAOBMAOAPTGS1SDHA
SCHEMBL13428439 0.77 MAOA (0.61) F10MAOBMAOAPTGS1SDHA
SCHEMBL13428278 0.76 F10 (0.51) F10MAOBMAOAPTGS1SDHA

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-2010036000-A2 NOVEL OXAZOLIDINONE DERIVATIVES WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AND PHARMACEUTICAL COMPOSITIONS THEREOF LEGOCHEM BIOSCIENCE LTD. (KR) 2010-04-01 WO disclosed