SCHEMBL6828284

SCHEMBL6828284

CC(=S)NCC1CN(c2ccc(NCCc3ccc([N+](=O)[O-])s3)c(F)c2)C(=O)O1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.50
MAOB P27338 3/20 0.50
F10 P00742 13/20 0.49
PTGS1 P23219 2/20 0.49
SDHA P31040 2/20 0.49
LMNA P02545 1/20 0.49
CALML3 P27482 1/20 0.49

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
SCHEMBL6828281 1.00 MAOA (0.50) MAOAMAOBF10PTGS1SDHA
SCHEMBL6826499 0.94 MAOA (0.58) MAOAMAOBF10PTGS1SDHA
SCHEMBL6826507 0.94 MAOA (0.58) MAOAMAOBF10PTGS1SDHA
SCHEMBL6826435 0.86 MAOA (0.49) MAOAMAOBF10PTGS1SDHA
SCHEMBL6826438 0.86 MAOA (0.49) MAOAMAOBF10PTGS1SDHA
SCHEMBL6826524 0.84 MAOA (0.47) MAOAMAOBF10PTGS1SDHA
SCHEMBL6826538 0.84 MAOA (0.47) MAOAMAOBF10PTGS1SDHA
SCHEMBL6828283 0.83 MAOA (0.49) MAOAMAOBF10PTGS1SDHA
SCHEMBL6828282 0.83 MAOA (0.49) MAOAMAOBF10PTGS1SDHA
SCHEMBL6512465 0.82 MAOB (0.60) MAOAMAOBF10PTGS1SDHA

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