SCHEMBL7454533

SCHEMBL7454533

CNC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N(CC(=O)NC1CN(OC(=O)C(F)(F)F)C1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.33
ALDH1A1 P00352 5/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
PKM P14618 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
GAA P10253 1/20 0.31
CCR2 P41597 1/20 0.31
CCR5 P51681 1/20 0.31
ATM Q13315 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7455832 0.95 CCR2 (0.36) PLCG1ALDH1A1MAPTHPGDSIGMAR1
SCHEMBL7462425 0.89 ALDH1A1 (0.33) ALDH1A1MAPTHPGDTDP1PKM
SCHEMBL7457360 0.86 PLCG1 (0.37) PLCG1ALDH1A1MAPTHPGDTDP1
SCHEMBL7457935 0.84 CCR2 (0.37) ALDH1A1TDP1SIGMAR1CCR2CCR5
SCHEMBL7463906 0.83 ALDH1A1 (0.33) ALDH1A1MAPTHPGDTDP1SIGMAR1
SCHEMBL7456796 0.82 POLB (0.34) ALDH1A1MAPTHPGDTDP1SIGMAR1
SCHEMBL7456168 0.81 SIGMAR1 (0.39) PLCG1ALDH1A1TDP1SIGMAR1CCR5
SCHEMBL7458556 0.79 CCR5 (0.33) ALDH1A1MAPTHPGDTDP1GAA
SCHEMBL7561889 0.78 PKM (0.31) PLCG1ALDH1A1MAPTHPGDPKM
SCHEMBL7451770 0.78 PKM (0.31) PLCG1ALDH1A1MAPTHPGDPKM

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
EP-0882728-B1 1-METHYLCARBAPENEM DERIVATIVES SANKYO CO (JP) 2002-09-04 EP disclosed
US-6090802-A BACTERICIDE SANKYO COMPANY, LIMITED (JP) 2000-07-18 US disclosed
EP-0882728-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-09 EP disclosed