SCHEMBL5290699

SCHEMBL5290699

Cn1cc[n+](-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
SLC22A3 O75751 1/20 0.34
SLC6A4 P31645 1/20 0.34
KMT2A Q03164 1/20 0.34
PCSK9 Q8NBP7 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
BRD4 O60885 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
Iodide SCHEMBL22490927 0.98 KMT2A (0.33) SLC22A2SLC22A1SLC22A3SLC6A4KMT2A
SCHEMBL5287084 0.78 KMT2A (0.35) KMT2ASMN1; SMN2MAPTHTTKDM4E
SCHEMBL5333131 0.77 BCHE (0.33) SLC22A2SLC22A1SLC22A3SLC6A4SMN1; SMN2
SCHEMBL5282605 0.77 HTT (0.40) SLC22A2SLC22A1SLC22A3SLC6A4KMT2A
SCHEMBL1834751 0.76 MAPT (0.39) KMT2ANPSR1L3MBTL1SMN1; SMN2MAPT
SCHEMBL1830961 0.76 NPSR1 (0.47) SLC22A2SLC22A1SLC22A3SLC6A4KMT2A
SCHEMBL5292666 0.75 KMT2A (0.42) KMT2ANPSR1MAPTNPC1RAB9A
SCHEMBL5304618 0.73 EEF2K (0.49) KMT2AMAPTHTTKDM4EALDH1A1
SCHEMBL5298292 0.73 EEF2K (0.49) KMT2AMAPTHTTKDM4EALDH1A1
SCHEMBL5295190 0.73 EEF2K (0.49) KMT2AMAPTHTTKDM4EALDH1A1

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-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed