SCHEMBL6919869

SCHEMBL6919869

O=C(CCC(=O)c1ccc2ccccc2c1)NCC1CN(c2ccccc2N2CCSC[C@@H]2F)C(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.40
MAOA P21397 2/20 0.40
F10 P00742 6/20 0.39
HTR1A P08908 2/20 0.36
CASP1 P29466 1/20 0.36
CASP8 Q14790 1/20 0.36
PARP1 P09874 2/20 0.36
LMNA P02545 1/20 0.34
PTGS1 P23219 1/20 0.34
CALML3 P27482 1/20 0.34
SDHA P31040 1/20 0.34
AIMP2 Q13155 1/20 0.33

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
SCHEMBL6920376 0.89 F10 (0.41) MAOBMAOAF10LMNA
SCHEMBL6918620 0.89 MAOA (0.39) MAOBMAOAF10HTR1ALMNA
SCHEMBL6918839 0.85 MAOA (0.41) MAOBMAOAF10LMNAPTGS1
SCHEMBL3526403 0.85 MAOB (0.47) MAOBMAOAF10HTR1APARP1
SCHEMBL3525477 0.85 MAOB (0.47) MAOBMAOAF10HTR1APARP1
SCHEMBL3525479 0.80 MAOB (0.66) MAOBMAOAF10LMNAPTGS1
SCHEMBL3519038 0.79 MAOB (0.46) MAOBMAOAF10LMNAPTGS1
SCHEMBL3519046 0.79 MAOB (0.46) MAOBMAOAF10LMNAPTGS1
SCHEMBL6919474 0.77 MAOB (0.41) MAOBMAOAF10LMNAPTGS1
SCHEMBL6823337 0.76 PARP1 (0.35) MAOBF10HTR1APARP1AIMP2

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-2004026848-A1 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPERATION AND THEIR USE AS ANTIMYCOBACTERIAL AGENTS LUPIN LIMITED (IN) 2004-04-01 WO claimed