SCHEMBL8539867

SCHEMBL8539867

O=C(N=CN[C@H]1CCN(C(=O)[C@@H]2C[C@H](S)CN2C=NC(=O)OCc2ccc([N+](=O)[O-])cc2)C1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.35
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
ATM Q13315 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD4 P21917 1/20 0.34
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
BACE1 P56817 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
EPHX2 P34913 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL8435710 0.91 HSD11B1 (0.40) SIGMAR1DPP8DPP9KMT2ADRD4
SCHEMBL8542381 0.90 SIGMAR1 (0.35) SIGMAR1DPP8DPP9ATMKMT2A
SCHEMBL8537814 0.89 SIGMAR1 (0.35) SIGMAR1DPP8DPP9ATMBCHE
SCHEMBL8540397 0.89 SIGMAR1 (0.35) SIGMAR1DPP8DPP9ATMBCHE
SCHEMBL8542182 0.88 EPHX2 (0.34) SIGMAR1DPP8DPP9ATMKMT2A
SCHEMBL8439582 0.88 DPP8 (0.32) SIGMAR1DPP8DPP9KMT2ADRD4
SCHEMBL8537657 0.86 DPP8 (0.33) SIGMAR1DPP8DPP9ATMKMT2A
SCHEMBL8438657 0.85 RECQL (0.39) DPP8DPP9ATMKMT2AALDH1A1
SCHEMBL9578034 0.83 ALDH1A1 (0.37) DPP8DPP9ATMALDH1A1TDP1
SCHEMBL8434836 0.83 KMT2A (0.39) DPP8DPP9KMT2AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed