SCHEMBL21987005

SCHEMBL21987005

NC(=O)OCCNC(=O)OCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
HTT P42858 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.60
MAPT P10636 1/20 0.59
TGM2 P21980 1/20 0.55
SLC1A3 P43003 1/20 0.54
SLC1A1 P43005 1/20 0.54
KEAP1 Q14145 2/20 0.53
NFE2L2 Q16236 2/20 0.53
PLAU P00749 1/20 0.53
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KAT2B Q92831 1/20 0.48
GAA P10253 1/20 0.48
IDO1 P14902 1/20 0.48

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
SCHEMBL27670555 0.91 HTT (0.67) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL29087602 0.88 TGM2 (0.64) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL3242700 0.86 LMNA (0.77) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL7372302 0.85 SMN1; SMN2 (1.00) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL26907092 0.85 LMNA (0.70) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL13055383 0.85 LMNA (0.80) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL35211277 0.84 LMNA (0.74) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL5797452 0.84 LMNA (0.74) LMNASMN1; SMN2HTTL3MBTL1MAPT
Hydrochloric Acid SCHEMBL10554471 0.84 LMNA (0.74) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL11085496 0.84 LMNA (0.74) LMNASMN1; SMN2HTTL3MBTL1MAPT

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
WO-2020109233-A2 TRMT2A INHIBITORS FOR USE IN THE TREATMENT OF POLYGLUTAMINE DISEASES FORSCHUNGSZENTRUM JÜLICH GMBH FACHBEREICH PATENTE (R-P) (DE) 2020-06-04 WO claimed
EP-3659593-A1 TRMT2A INHIBITORS FOR USE IN THE TREATMENT OF POLYGLUTAMINE DISEASES Forschungszentrum Jülich GmbH/ Abteilung RP-PT (DE) 2020-06-03 EP claimed
WO-2020109233-A2 TRMT2A INHIBITORS FOR USE IN THE TREATMENT OF POLYGLUTAMINE DISEASES FORSCHUNGSZENTRUM JÜLICH GMBH FACHBEREICH PATENTE (R-P) (DE) 2020-06-04 WO disclosed
EP-3659593-A1 TRMT2A INHIBITORS FOR USE IN THE TREATMENT OF POLYGLUTAMINE DISEASES Forschungszentrum Jülich GmbH/ Abteilung RP-PT (DE) 2020-06-03 EP disclosed