SCHEMBL11066063

SCHEMBL11066063

O=C(N[C@H](C(=O)O)c1ccccc1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.66
CTSL P07711 6/20 0.52
CTSS P25774 1/20 0.52
TGM2 P21980 1/20 0.52
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL11514580 1.00 ATM (0.66) ATMCTSLCTSSTGM2RAB9A
SCHEMBL10967450 0.90 ATM (0.57) ATMCTSLCTSSTGM2RAB9A
SCHEMBL10967446 0.90 ATM (0.54) ATMCTSLCTSSTGM2RAB9A
SCHEMBL11293241 0.90 ATM (0.54) ATMCTSLCTSSTGM2RAB9A
SCHEMBL11216821 0.89 ATM (0.53) ATMCTSLTGM2RAB9AMAPT
SCHEMBL11204903 0.88 ATM (0.58) ATMCTSLCTSSTGM2
SCHEMBL11533827 0.87 SMN1; SMN2 (0.56) ATMCTSLCTSSRAB9AMAPT
SCHEMBL11692430 0.86 ATM (0.49) ATMCTSLTGM2RAB9ANPC1
SCHEMBL1362502 0.85 ATM (0.77) ATMCTSLCTSS
SCHEMBL3255533 0.85 ATM (0.77) ATMCTSLCTSS

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-0034443-B1 BETA-LACTAM ANTIBACTERIAL COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1984-09-26 EP disclosed
US-4444771-A Azeto triazolo pyrazine β-lactam antibacterial agents BEECHAM GROUP LIMITED (GB) 1984-04-24 US disclosed
US-4407815-A AMINO ACID DERIVATIVE ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1983-10-04 US disclosed
EP-0048096-A1 Beta-lactam antibacterial agents BEECHAM GROUP PLC (GB) 1982-03-24 EP disclosed
EP-0034443-A2 Beta-lactam antibacterial compounds, their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1981-08-26 EP disclosed