SCHEMBL9574302

SCHEMBL9574302

CN1C[C@@H](S)C[C@H]1C(=O)N1CC(NC(=N)CC(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.36
MMP2 P08253 1/20 0.36
ANPEP P15144 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 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
SCHEMBL8440242 0.93 ALDH1A1 (0.37) ALDH1A1MAPTGAAMAPK1L3MBTL1
SCHEMBL8439764 0.92 EPHX2 (0.39) ALDH1A1MAPTGAADPP8DPP9
SCHEMBL8580347 0.89 ALDH1A1 (0.35) ALDH1A1MAPTGAAMAPK1L3MBTL1
SCHEMBL8439220 0.88 DPP8 (0.43) ALDH1A1MAPTGAAATMHPGD
SCHEMBL8578475 0.84 GAA (0.45) ALDH1A1MAPTGAAMAPK1L3MBTL1
SCHEMBL9574308 0.83 ATM (0.38) ALDH1A1MAPTGAAATMHPGD
SCHEMBL8447158 0.83 TPSAB1 (0.39) ALDH1A1MAPTGAADPP8DPP9
SCHEMBL8439013 0.83 DPP8 (0.36) ALDH1A1MAPTGAAATMHPGD
SCHEMBL8436695 0.82 HSD11B1 (0.35) ALDH1A1MAPTTDP1DPP8DPP9
SCHEMBL8440441 0.82 HSD11B1 (0.35) ALDH1A1MAPTTDP1DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560613-A1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1993-09-15 EP disclosed