SCHEMBL8669072

SCHEMBL8669072

CCOc1ccccc1CNCCNCCNC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 1/20 0.53
GAA P10253 2/20 0.51
CD274 Q9NZQ7 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTR1A P08908 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
HTT P42858 1/20 0.48
MAPK1 P28482 2/20 0.46
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 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
SCHEMBL4366616 0.87 CD274 (0.58) LMNACD274SMN1; SMN2MEN1KMT2A
SCHEMBL8666812 0.84 LMNA (0.46) LMNAALDH1A1GAACD274L3MBTL1
SCHEMBL8770412 0.83 SMN1; SMN2 (0.46) LMNAALDH1A1KDM4ECD274L3MBTL1
SCHEMBL21338348 0.82 LMNA (0.63) LMNAGAAL3MBTL1MAPTSMN1; SMN2
SCHEMBL5019074 0.81 LMNA (0.73) LMNAALDH1A1GAAL3MBTL1MAPT
SCHEMBL4380661 0.80 CHRM2 (0.60) HTTRECQL
SCHEMBL4203774 0.80 CHRM2 (0.63) MAPTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL14985738 0.80 LMNA (0.63) LMNAALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL13365569 0.79 LMNA (0.67) LMNAGAAL3MBTL1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4506331 0.79 LMNA (0.71) LMNAALDH1A1GAAL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5853699-A Use of tetra azacycle complexes as x-ray diagnostic agents for the liver and gallbladder SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-29 US disclosed