SCHEMBL21987017

SCHEMBL21987017

O=C(NCCOC(=O)Nc1cccc2ccc(Cc3ccccc3)cc12)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.60
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TRPV1 Q8NER1 9/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.46
MAOB P27338 1/20 0.45
KDM4E B2RXH2 2/20 0.44
KDM6B O15054 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
KDM4A O75164 1/20 0.44
EGLN2 Q96KS0 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.44
HIF1AN Q9NWT6 1/20 0.44
PHF8 Q9UPP1 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL21987006 0.88 LMNA (0.59) PLAULMNASMN1; SMN2TRPV1L3MBTL1
SCHEMBL21987058 0.87 LMNA (0.48) PLAULMNASMN1; SMN2L3MBTL1NPC1
SCHEMBL21987091 0.83 LMNA (0.48) PLAULMNASMN1; SMN2TRPV1L3MBTL1
SCHEMBL21987041 0.82 LMNA (0.47) PLAULMNASMN1; SMN2L3MBTL1NPC1
SCHEMBL21987042 0.77 LMNA (0.53) PLAULMNASMN1; SMN2L3MBTL1NPC1
SCHEMBL5363673 0.75 PLAU (0.65) PLAULMNATRPV1NPC1RAB9A
SCHEMBL21987086 0.74 SMN1; SMN2 (0.52) PLAULMNASMN1; SMN2L3MBTL1NPC1
SCHEMBL21987033 0.73 DNMT1 (0.59) LMNASMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL21597890 0.73 LMNA (0.72) LMNASMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL14974717 0.72 ALDH1A1 (0.63) PLAULMNATRPV1NPC1RAB9A

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 2 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 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