SCHEMBL6827550

SCHEMBL6827550

CC(=S)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])o4)CC3)nc2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
F10 P00742 9/20 0.43
MAOA P21397 3/20 0.37
MAOB P27338 2/20 0.37
LMNA P02545 1/20 0.37
PTGS1 P23219 1/20 0.37
CALML3 P27482 1/20 0.37
SDHA P31040 1/20 0.37
ABCB11 O95342 1/20 0.36

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
SCHEMBL6827555 1.00 POLB (0.44) POLBF10MAOAMAOBLMNA
SCHEMBL7127429 0.93 F10 (0.43) POLBF10
SCHEMBL7132802 0.93 F10 (0.45) POLBF10MAOAMAOBLMNA
SCHEMBL6824189 0.93 F10 (0.43) POLBF10
SCHEMBL7127433 0.93 F10 (0.43) POLBF10
SCHEMBL7127423 0.90 F10 (0.45) POLBF10
SCHEMBL6275159 0.87 F10 (0.44) POLBF10MAOAMAOBLMNA
SCHEMBL6827457 0.86 F10 (0.46) F10MAOAMAOB
SCHEMBL6920960 0.81 F10 (0.45) F10MAOAMAOBLMNAPTGS1
SCHEMBL6239753 0.80 F10 (0.45) POLBF10LMNA

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-2004009587-A1 OXAZOLIDINONE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-01-29 WO claimed