SCHEMBL4069289

SCHEMBL4069289

O=C(NCCN1C[C@@H]2C[C@H]1CN2C(=O)O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.47
KAT2B Q92831 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KEAP1 Q14145 3/20 0.44
NFE2L2 Q16236 3/20 0.44
GAA P10253 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A1 P43005 1/20 0.43
DPP8 Q6V1X1 2/20 0.43
DPP7 Q9UHL4 2/20 0.43
TGM2 P21980 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
DPP4 P27487 1/20 0.41
DPP9 Q86TI2 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PREP P48147 2/20 0.41

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
SCHEMBL5905801 0.87 ABCB1 (0.52) LMNASMN1; SMN2HTTKAT2BMEN1
SCHEMBL4065908 0.82 PREP (0.56) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL21528072 0.78 LMNA (0.51) LMNASMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL21528073 0.78 LMNA (0.51) LMNASMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL31091787 0.78 LMNA (0.51) LMNASMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL21528098 0.78 LMNA (0.59) LMNASMN1; SMN2HTTKAT2BMEN1
SCHEMBL27225229 0.76 ALDH1A1 (0.51) GAADPP7TGM2DPP4ALDH1A1
SCHEMBL26093625 0.75 SMN1; SMN2 (0.49) LMNASMN1; SMN2HTTKAT2BMEN1
SCHEMBL26093627 0.75 SMN1; SMN2 (0.49) LMNASMN1; SMN2HTTKAT2BMEN1
SCHEMBL5041382 0.75 SIGMAR1 (0.47) MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605938-B1 Antibacterial derivatives of napthydrin and quinoline GLAXO GROUP LTD (GB) 2009-02-11 EP disclosed
EP-1605938-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-22 EP disclosed
EP-1605938-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-12-21 EP disclosed
WO-2004087145-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-10-14 WO disclosed