SCHEMBL8434820

SCHEMBL8434820

O=C(OCc1ccc([N+](=O)[O-])cc1)C1CN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38

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
SCHEMBL8541140 0.91 RAB9A (0.41) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL8438677 0.91 RAB9A (0.41) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL8435953 0.90 PDK1 (0.45) TDP1ALDH1A1MAPTHPGDRECQL
SCHEMBL8588093 0.90 PDK1 (0.45) TDP1ALDH1A1MAPTHPGDRECQL
SCHEMBL8435956 0.90 PDK1 (0.45) TDP1ALDH1A1MAPTHPGDRECQL
SCHEMBL9204434 0.90 TDP1 (0.48) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL9728572 0.90 TDP1 (0.48) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL9728223 0.89 DPP8 (0.46) TDP1DPP8DPP9
SCHEMBL9040433 0.88 ALDH1A1 (0.41) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL9040592 0.88 ALDH1A1 (0.41) TDP1ALDH1A1MAPTATMHPGD

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