SCHEMBL5150719

SCHEMBL5150719

CCCCCCCCCCCC([N+](CCCCCC)(CCCCCC)CCCCCC)[N+](CCCCCC)(CCCCCC)CCCCCC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 2/20 0.50
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DNM1 Q05193 9/20 0.46
HTT P42858 1/20 0.46
SLC22A2 O15244 1/20 0.46
LSS P48449 1/20 0.42

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
SCHEMBL5153089 1.00 SLC22A1 (0.50) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5150584 1.00 SLC22A1 (0.50) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5150286 0.95 SLC22A1 (0.46) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5150677 0.95 SLC22A1 (0.46) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5150559 0.95 SLC22A1 (0.46) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL2861267 0.80 SLC22A1 (0.50) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL16936119 0.80 SLC22A1 (0.50) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL16936160 0.80 SLC22A1 (0.50) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL28687608 0.78 SLC22A1 (0.48) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL29120975 0.78 SLC22A1 (0.48) SLC22A1ALDH1A1TP53CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689698-A4 BIS-CATIONIC COMPOUNDS AND USE THEREOF UNIV SYDNEY (AU) 2007-09-05 EP claimed
JP-2007510672-A 2007-04-26 JP claimed
EP-1689698-A1 BIS-CATIONIC COMPOUNDS AND USE THEREOF THE UNIVERSITY OF SYDNEY (AU) 2006-08-16 EP claimed
WO-2005047230-A1 BIS-CATIONIC COMPOUNDS AND USE THEREOF THE UNIVERSITY OF SYDNEY (AU) 2005-05-26 WO claimed
EP-1689698-A4 BIS-CATIONIC COMPOUNDS AND USE THEREOF UNIV SYDNEY (AU) 2007-09-05 EP disclosed
EP-1689698-A1 BIS-CATIONIC COMPOUNDS AND USE THEREOF THE UNIVERSITY OF SYDNEY (AU) 2006-08-16 EP disclosed
WO-2005047230-A1 BIS-CATIONIC COMPOUNDS AND USE THEREOF THE UNIVERSITY OF SYDNEY (AU) 2005-05-26 WO disclosed