SCHEMBL8436766

SCHEMBL8436766

C[C@@H]1CN(C(=O)OCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C(=O)[C@@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
ATM Q13315 1/20 0.39
MAOB P27338 1/20 0.38
PREP P48147 1/20 0.38
HTT P42858 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL8537550 1.00 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8537549 1.00 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8537713 0.89 PDK1 (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8441805 0.89 PDK1 (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8435272 0.89 PDK1 (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8543375 0.89 PDK1 (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8435956 0.88 PDK1 (0.45) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8588093 0.88 PDK1 (0.45) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8435953 0.88 PDK1 (0.45) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8440364 0.86 ALDH1A1 (0.39) ALDH1A1MAPTHPGDLMNAPREP

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
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed