SCHEMBL6918620

SCHEMBL6918620

COc1ccc(C(=O)CCC(=O)NCC2CN(c3ccccc3N3CCSC[C@@H]3F)C(=O)O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
F10 P00742 2/20 0.37
HTR1A P08908 1/20 0.37
GRM2 Q14416 1/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
MMP1 P03956 1/20 0.36
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
SIGMAR1 Q99720 3/20 0.35
RAB9A P51151 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34

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 0.90 F10 (0.41) MAOAMAOBLMNAF10
SCHEMBL6919869 0.89 MAOB (0.40) MAOAMAOBLMNAF10HTR1A
SCHEMBL6918839 0.85 MAOA (0.41) MAOAMAOBALDH1A1LMNAF10
SCHEMBL3519953 0.84 MAOA (0.47) MAOAMAOBALDH1A1L3MBTL1LMNA
SCHEMBL3519956 0.84 MAOA (0.47) MAOAMAOBALDH1A1L3MBTL1LMNA
SCHEMBL3519113 0.79 MAOB (0.46) MAOAMAOBALDH1A1L3MBTL1LMNA
SCHEMBL3519116 0.79 MAOB (0.46) MAOAMAOBALDH1A1L3MBTL1LMNA
SCHEMBL3519955 0.78 MAOB (0.68) MAOAMAOBLMNAF10
SCHEMBL6919474 0.76 MAOB (0.41) MAOAMAOBLMNAF10
SCHEMBL3525099 0.76 GRM2 (0.37) ALDH1A1L3MBTL1LMNATHRBHTR1A

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