SCHEMBL7456013

SCHEMBL7456013

NC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N(CC(=O)N[C@H]1CCN(C(=O)O)C1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
CCR5 P51681 8/20 0.36
CCR2 P41597 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
EPHX2 P34913 1/20 0.35
ATM Q13315 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
SCHEMBL7456405 0.93 TDP1 (0.37) SIGMAR1ALDH1A1DPP8DPP9CCR5
SCHEMBL7457694 0.91 SIGMAR1 (0.38) SIGMAR1ALDH1A1LMNADPP8DPP9
SCHEMBL7456168 0.89 SIGMAR1 (0.39) SIGMAR1ALDH1A1DPP8DPP9CCR5
SCHEMBL8102813 0.86 SIGMAR1 (0.33) SIGMAR1ALDH1A1LMNADPP8DPP9
SCHEMBL7453536 0.86 SIGMAR1 (0.33) SIGMAR1ALDH1A1LMNADPP8DPP9
SCHEMBL7457935 0.85 CCR2 (0.37) SIGMAR1ALDH1A1LMNADPP8DPP9
SCHEMBL7449048 0.84 CCR5 (0.37) SIGMAR1ALDH1A1LMNADPP8DPP9
SCHEMBL7454118 0.84 CCR5 (0.37) SIGMAR1ALDH1A1LMNADPP8DPP9
SCHEMBL5670553 0.84 CCR5 (0.32) SIGMAR1ALDH1A1LMNADPP8DPP9
SCHEMBL7456316 0.84 POLB (0.37) SIGMAR1ALDH1A1DPP8DPP9CCR5

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