SCHEMBL6828283

SCHEMBL6828283

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.49
MAOB P27338 3/20 0.49
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
CALML3 P27482 1/20 0.47
SDHA P31040 1/20 0.47
F10 P00742 14/20 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
SCHEMBL6828282 1.00 MAOA (0.49) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6826500 0.94 MAOA (0.57) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6826504 0.94 MAOA (0.57) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6826376 0.93 MAOA (0.45) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6826378 0.93 MAOA (0.45) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6826437 0.86 MAOA (0.47) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6826436 0.86 MAOA (0.47) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6826535 0.85 MAOA (0.46) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6826532 0.85 MAOA (0.46) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6828281 0.83 MAOA (0.50) MAOAMAOBLMNAPTGS1CALML3

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