SCHEMBL11062255

SCHEMBL11062255

O=C(OCc1ccc([N+](=O)[O-])cc1)C1=CCC2CC(=O)N12

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 2/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
PAX8 Q06710 1/20 0.41

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
SCHEMBL9782798 0.83 ELANE (0.52) TDP1ALDH1A1KMT2A
SCHEMBL4667683 0.81 RAB9A (0.46) TDP1ALDH1A1MAPTHPGDRAB9A
SCHEMBL13424123 0.80 RAB9A (0.44) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL11066637 0.79 PLCG1 (0.53) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL6399327 0.79 TDP1 (0.47) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL6399324 0.79 TDP1 (0.47) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL4965365 0.79 TDP1 (0.47) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL11195764 0.78 RAB9A (0.45) TDP1ALDH1A1MAPTHPGDRAB9A
SCHEMBL27469069 0.78 ALDH1A1 (0.47) TDP1ALDH1A1ATMMAPTHPGD
SCHEMBL11195753 0.78 RAB9A (0.42) TDP1ALDH1A1ATMMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415365-B Carbapenem compounds 幽兰医药有限公司 2022-08-09 CN disclosed
EP-0002564-B1 DERIVATIVES OF 7-OXO-1-AZABICYCLO(3.2.0)-HEPT-2-ENE-2-CARBOXYLIC ACID, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES BEECHAM GROUP PLC (GB) 1984-06-20 EP disclosed
US-4431587-A AMINO ACID DERIVATIVE ANTIVBIOTICS BEECHAM GROUP LIMITED (GB) 1984-02-14 US disclosed
EP-0008888-B1 BETA-LACTAM ANTIBACTERIAL COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1983-09-21 EP disclosed
US-4405637-A CARBAPENICILLIN BEECHAM GROUP LIMITED (GB) 1983-09-20 US disclosed
US-4401595-A 4-Allyl azetidinone intermediate for β-lactam antibacterial agents BEECHAM GROUP LIMITED (GB) 1983-08-30 US disclosed
US-4350703-A β-Lactam antibacterial agents BEECHAM GROUP LIMITED (GB) 1982-09-21 US disclosed
US-4347181-A Intermediates for producing bicyclic β-lactam-antibiotics BEECHAM GROUP LIMITED (GB) 1982-08-31 US disclosed
US-4289696-A BETA-LACTAMASE INHIBITORY AGENTS WHICH ENHANCE ACTIVITY OF A PENICICILLIN OR CEPHALOSPORIN BEECHAM GROUP LIMITED (GB) 1981-09-15 US disclosed
US-4223038-A THIENAMYCINS BEECHAM GROUP LIMITED (GB) 1980-09-16 US disclosed
EP-0008888-A1 Beta-lactam antibacterial compounds, their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1980-03-19 EP disclosed
EP-0002564-A1 Derivatives of 7-oxo-1-azabicyclo(3.2.0)-hept-2-ene-2-carboxylic acid, their preparation, pharmaceutical compositions containing them and intermediates BEECHAM GROUP PLC (GB) 1979-06-27 EP disclosed