SCHEMBL6826378

SCHEMBL6826378

CNC(=S)NCC1CN(c2ccc(N(C)Cc3ccc([N+](=O)[O-])s3)c(F)c2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.45
MAOB P27338 3/20 0.45
F10 P00742 14/20 0.45
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
SCHEMBL6826376 1.00 MAOA (0.45) MAOAMAOBF10LMNAPTGS1
SCHEMBL6828283 0.93 MAOA (0.49) MAOAMAOBF10LMNAPTGS1
SCHEMBL6828282 0.93 MAOA (0.49) MAOAMAOBF10LMNAPTGS1
SCHEMBL6826500 0.90 MAOA (0.57) MAOAMAOBF10LMNAPTGS1
SCHEMBL6826504 0.90 MAOA (0.57) MAOAMAOBF10LMNAPTGS1
SCHEMBL7068124 0.86 MAOA (0.42) MAOAMAOBF10LMNAPTGS1
SCHEMBL7068126 0.86 MAOA (0.42) MAOAMAOBF10LMNAPTGS1
SCHEMBL5796682 0.82 MAOB (0.55) MAOAMAOBF10LMNAPTGS1
SCHEMBL7255499 0.81 MAOB (0.44) MAOAMAOBF10LMNAPTGS1
SCHEMBL7255501 0.81 MAOB (0.44) MAOAMAOBF10LMNAPTGS1

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