SCHEMBL8434826

SCHEMBL8434826

C[C@@H]1CN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CCN1C(=N)NC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 2/20 0.34
NPBWR1 P48145 2/20 0.34
MCHR1 Q99705 2/20 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
SCHEMBL8576628 1.00 PDK1 (0.38) PDK1PDK2PDK3PDK4DPP8
SCHEMBL8437832 0.91 DPP8 (0.38) DPP8DPP9ALDH1A1MAPTLMNA
SCHEMBL8435953 0.90 PDK1 (0.45) PDK1PDK2PDK3PDK4DPP8
SCHEMBL8435956 0.90 PDK1 (0.45) PDK1PDK2PDK3PDK4DPP8
SCHEMBL8588093 0.90 PDK1 (0.45) PDK1PDK2PDK3PDK4DPP8
SCHEMBL8434929 0.88 DPP8 (0.42) DPP8DPP9ALDH1A1MAPTLMNA
SCHEMBL8543375 0.86 PDK1 (0.42) PDK1PDK2PDK3PDK4DPP8
SCHEMBL8441805 0.86 PDK1 (0.42) PDK1PDK2PDK3PDK4DPP8
SCHEMBL8537713 0.86 PDK1 (0.42) PDK1PDK2PDK3PDK4DPP8
SCHEMBL8435272 0.86 PDK1 (0.42) PDK1PDK2PDK3PDK4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0560613-A1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1993-09-15 EP disclosed