SCHEMBL6826266

SCHEMBL6826266

CN(Cc1cnccn1)c1ccc(N2CC(CNC(O)=S)OC2=O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 3/20 0.44
MAOA P21397 8/20 0.44
MAOB P27338 3/20 0.44
LMNA P02545 1/20 0.44
PTGS1 P23219 1/20 0.44
SDHA P31040 1/20 0.44
F10 P00742 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL6826244 0.91 MAOA (0.54) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL6924220 0.87 CALML3 (0.48) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL6924223 0.87 CALML3 (0.48) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL6826592 0.84 MAOA (0.45) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL6919303 0.82 MAOA (0.42) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL6919306 0.82 MAOA (0.42) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL6823173 0.80 MAOA (0.50) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL6823171 0.80 MAOA (0.50) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL6920344 0.78 MAOA (0.43) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL6920347 0.78 MAOA (0.43) CALML3MAOAMAOBLMNAPTGS1

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-2004101552-A1 OXAZOLIDINONE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-11-25 WO claimed