SCHEMBL8436611

SCHEMBL8436611

O=C(OCc1ccc([N+](=O)[O-])cc1)C1CNCCN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
ATM Q13315 1/20 0.44
HPGD P15428 1/20 0.44
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8521692 0.90 ALDH1A1 (0.46) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL8438157 0.86 HTR2C (0.47) TDP1ALDH1A1MAPTHPGDKCNJ1
SCHEMBL8435747 0.86 HTR2C (0.47) TDP1ALDH1A1MAPTHPGDKCNJ1
SCHEMBL8437972 0.86 HTR2C (0.47) TDP1ALDH1A1MAPTHPGDKCNJ1
SCHEMBL4674934 0.84 HTR2C (0.52) RAB9A
SCHEMBL2929662 0.84 KCNJ1 (0.42) TDP1ALDH1A1MAPTHPGDKCNJ1
SCHEMBL8438756 0.84 ALDH1A1 (0.37) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL8438676 0.81 ALDH1A1 (0.36) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL1055545 0.81 ITGB2 (0.39) TDP1ALDH1A1MAPTKDM4E
SCHEMBL1056587 0.80 ITGB2 (0.41) ALDH1A1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed