SCHEMBL8767402

SCHEMBL8767402

COC(=O)CN(CCn1cccn1)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
THRB P10828 2/20 0.38
OPRD1 P41143 2/20 0.38
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EYA2 O00167 1/20 0.34
APP P05067 1/20 0.34
ACE P12821 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8767398 0.94 LMNA (0.41) LMNATHRBOPRD1KMT2AALDH1A1
SCHEMBL7651717 0.89 TDP1 (0.43) LMNATHRBKMT2AALDH1A1NPC1
Hydrochloric Acid SCHEMBL8767266 0.87 TDP1 (0.42) LMNATHRBKMT2AALDH1A1NPC1
SCHEMBL8768611 0.87 TDP1 (0.42) LMNATHRBKMT2AALDH1A1NPC1
SCHEMBL14578736 0.75 THRB (0.51) LMNATHRBOPRD1KMT2AALDH1A1
SCHEMBL7647805 0.74 LMNA (0.41) LMNATHRBKMT2AALDH1A1
SCHEMBL5852270 0.74 TDP1 (0.64) LMNAKMT2AGAAEYA2APP
SCHEMBL5085940 0.74 TDP1 (0.64) LMNAKMT2AGAAEYA2APP
Benzene SCHEMBL27990648 0.74 TDP1 (0.44) LMNAKMT2AALDH1A1GAAEYA2
SCHEMBL13129733 0.74 TDP1 (0.64) LMNAKMT2AGAAEYA2APP

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
EP-0790241-A1 COMPLEXONES WITH THE STRUCTURE OF N-2-(AZOL-1(2)-YL)ETHYLIMINODIACETIC ACIDS, SYNTHESIS, ANALYTICAL STUDY AND BIOLOGICAL APPLICATIONS UNIVERSIDAD NACIONAL DE EDUCACION A DISTANCIA (ES) 1997-08-20 EP claimed
EP-0790241-A1 COMPLEXONES WITH THE STRUCTURE OF N-2-(AZOL-1(2)-YL)ETHYLIMINODIACETIC ACIDS, SYNTHESIS, ANALYTICAL STUDY AND BIOLOGICAL APPLICATIONS UNIVERSIDAD NACIONAL DE EDUCACION A DISTANCIA (ES) 1997-08-20 EP disclosed