SCHEMBL7456405

SCHEMBL7456405

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
ATM Q13315 1/20 0.36
PLCG1 P19174 1/20 0.34
CCR5 P51681 3/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 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
SCHEMBL7456013 0.93 SIGMAR1 (0.40) TDP1SIGMAR1DPP8DPP9ATM
SCHEMBL7456316 0.90 POLB (0.37) TDP1SIGMAR1DPP8DPP9ATM
SCHEMBL7454106 0.89 DPP8 (0.35) TDP1SIGMAR1DPP8DPP9ATM
SCHEMBL7457360 0.88 PLCG1 (0.37) TDP1SIGMAR1DPP8DPP9ATM
SCHEMBL7462425 0.85 ALDH1A1 (0.33) TDP1SIGMAR1DPP8DPP9ATM
SCHEMBL7453403 0.85 CCR5 (0.32) TDP1DPP8DPP9CCR5RAB9A
SCHEMBL7457694 0.84 SIGMAR1 (0.38) SIGMAR1DPP8DPP9CCR5ALDH1A1
SCHEMBL7460549 0.83 DPP8 (0.37) TDP1DPP8DPP9ATMCCR5
SCHEMBL7460727 0.83 DPP8 (0.37) TDP1DPP8DPP9ATMCCR5
SCHEMBL7456168 0.82 SIGMAR1 (0.39) TDP1SIGMAR1DPP8DPP9PLCG1

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