SCHEMBL6922822

SCHEMBL6922822

CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])s4)CC3)nc2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.48
MAOA P21397 4/20 0.46
MAOB P27338 2/20 0.46
LMNA P02545 1/20 0.44
PTGS1 P23219 1/20 0.44
CALML3 P27482 1/20 0.44
SDHA P31040 1/20 0.44
ABCB11 O95342 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6827457 0.94 F10 (0.46) F10MAOAMAOBKDM4EALDH1A1
SCHEMBL6827500 0.90 F10 (0.45) F10KDM4EALDH1A1MAPTHTT
SCHEMBL7132802 0.85 F10 (0.45) F10MAOAMAOBLMNAPTGS1
SCHEMBL30536663 0.80 MEN1 (0.51) F10MAOAMAOBLMNAPTGS1
SCHEMBL6827508 0.80 F10 (0.47) F10MAOAMAOBLMNAPTGS1
SCHEMBL6827555 0.80 POLB (0.44) F10MAOAMAOBLMNAPTGS1
SCHEMBL6827550 0.80 POLB (0.44) F10MAOAMAOBLMNAPTGS1
SCHEMBL2088445 0.80 F10 (0.54) F10MAOAMAOBLMNAPTGS1
SCHEMBL2088442 0.80 F10 (0.54) F10MAOAMAOBLMNAPTGS1
SCHEMBL7258761 0.79 MAOA (0.55) F10MAOAMAOBLMNAPTGS1

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