SCHEMBL11116047

SCHEMBL11116047

O=C(O)C1=C(Cc2ccc([N+](=O)[O-])cc2)CC2CC(=O)N12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.39
POLB P06746 2/20 0.38
HTT P42858 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
LTA4H P09960 1/20 0.36
PLA2G2A P14555 1/20 0.36
NR2F2 P24468 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL11178582 0.76 MAPT (0.39) TDP1HTTMAPTALDH1A1NPC1
SCHEMBL11066637 0.72 PLCG1 (0.53) TDP1ATMPOLBHTTMAPT
SCHEMBL11160099 0.71 ALDH1A1 (0.43) TDP1ATMPOLBHTTMAPT
SCHEMBL11150895 0.70 RAB9A (0.47) TDP1ATMPOLBHTTMAPT
SCHEMBL11188743 0.69 TDP1 (0.48) TDP1ATMPOLBMAPTALDH1A1
SCHEMBL9666113 0.69 ALDH1A1 (0.45) TDP1ATMPOLBHTTMAPT
SCHEMBL11148244 0.69 ALDH1A1 (0.44) TDP1ATMPOLBHTTMAPT
SCHEMBL4687803 0.66 TDP1 (0.78) TDP1POLBALDH1A1LTA4HPLA2G2A
SCHEMBL11062255 0.66 TDP1 (0.47) TDP1ATMPOLBHTTMAPT
SCHEMBL679071 0.66 ELANE (0.41) TDP1POLBALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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