SCHEMBL7462425

SCHEMBL7462425

NC(=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 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
TDP1 Q9NUW8 1/20 0.33
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
CCR2 P41597 1/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 2/20 0.32
ATM Q13315 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PKM P14618 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
SCHEMBL7457935 0.95 CCR2 (0.37) ALDH1A1TDP1DPP8DPP9SIGMAR1
SCHEMBL7463906 0.92 ALDH1A1 (0.33) ALDH1A1TDP1DPP8DPP9SIGMAR1
SCHEMBL7456796 0.91 POLB (0.34) ALDH1A1TDP1DPP8DPP9SIGMAR1
SCHEMBL7454533 0.89 PLCG1 (0.33) ALDH1A1TDP1SIGMAR1CCR2MAPT
SCHEMBL7453875 0.86 CCR2 (0.35) ALDH1A1DPP8DPP9SIGMAR1CCR2
SCHEMBL7456405 0.85 TDP1 (0.37) ALDH1A1TDP1DPP8DPP9SIGMAR1
SCHEMBL7458556 0.85 CCR5 (0.33) ALDH1A1TDP1DPP8DPP9MAPT
SCHEMBL7455832 0.84 CCR2 (0.36) ALDH1A1SIGMAR1CCR2MAPTHPGD
SCHEMBL7456013 0.81 SIGMAR1 (0.40) ALDH1A1TDP1DPP8DPP9SIGMAR1
SCHEMBL7454249 0.80 CCR2 (0.45) DPP8DPP9SIGMAR1CCR2

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