SCHEMBL6919303

SCHEMBL6919303

CN(Cc1ncc([N+](=O)[O-])cn1)c1ccc(N2C[C@H](CNC(O)=S)OC2=O)cc1F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.42
MAOB P27338 5/20 0.42
CALML3 P27482 2/20 0.42
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
SDHA P31040 1/20 0.42
F10 P00742 5/20 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
SCHEMBL6919306 1.00 MAOA (0.42) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6826532 0.94 MAOA (0.46) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6826535 0.94 MAOA (0.46) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6920347 0.84 MAOA (0.43) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6920344 0.84 MAOA (0.43) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6826253 0.82 MAOA (0.51) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6826255 0.82 MAOA (0.51) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6919310 0.82 F10 (0.43) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6826266 0.82 CALML3 (0.44) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6924220 0.81 CALML3 (0.48) 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 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 disclosed