SCHEMBL8434757

SCHEMBL8434757

CC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N1C[C@@H](S)C[C@H]1C(=O)N1CCN(C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
NPBWR1 P48145 2/20 0.37
MCHR1 Q99705 2/20 0.37
HPGD P15428 1/20 0.36
MAOB P27338 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL8439607 0.97 SMN1; SMN2 (0.39) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL8437058 0.95 NPBWR1 (0.38) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL8440008 0.93 ALDH1A1 (0.37) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL8440273 0.89 RECQL (0.36) ALDH1A1MAPTKMT2ANPBWR1MCHR1
SCHEMBL8441151 0.87 MCHR1 (0.35) ALDH1A1MAPTNPBWR1MCHR1HPGD
SCHEMBL8540858 0.87 EPHX2 (0.38) ALDH1A1MAPTKMT2ANPBWR1MCHR1
Trifluoromethanesulfonic Acid SCHEMBL8435836 0.86 CCR5 (0.36) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL8438343 0.86 PDK1 (0.38) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL9724490 0.85 RAB9A (0.41) ALDH1A1MAPTLMNAHPGDMAOB
Trifluoromethanesulfonic Acid SCHEMBL8434762 0.84 CCR5 (0.35) ALDH1A1NPBWR1MCHR1DPP8DPP9

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