SCHEMBL5287380

SCHEMBL5287380

CC(C)[n+]1ccn(C)c1-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
PCSK9 Q8NBP7 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
SLC22A3 O75751 1/20 0.33
SLC6A4 P31645 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
MC4R P32245 1/20 0.31
CYP2D6 P10635 1/20 0.31
ATP1A1 P05023 3/20 0.30
ATP1B1 P05026 3/20 0.30
ATP1A3 P13637 3/20 0.30
ATP1B2 P14415 3/20 0.30
ATP1A2 P50993 3/20 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
SCHEMBL5333118 0.79 RAB9A (0.34) SLC22A2SLC22A1SLC22A3SLC6A4RAB9A
SCHEMBL5288323 0.77 LMNA (0.39) KMT2ASLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL5304799 0.76 EEF2K (0.41) KMT2ANPSR1MEN1NPC1RAB9A
SCHEMBL5328377 0.75 NOTUM (0.39) KMT2AL3MBTL1MEN1CYP2D6
SCHEMBL5301368 0.75 EEF2K (0.46) KMT2ANPSR1MEN1NPC1RAB9A
SCHEMBL1830961 0.75 NPSR1 (0.47) KMT2APCSK9NPSR1L3MBTL1SLC22A2
SCHEMBL5302168 0.74 EEF2K (0.48) KMT2ANPSR1MEN1NPC1RAB9A
SCHEMBL5335822 0.74 EEF2K (0.48) KMT2ANPSR1MEN1NPC1RAB9A
SCHEMBL5288061 0.74 EEF2K (0.48) KMT2ANPSR1MEN1NPC1RAB9A
SCHEMBL5300336 0.74 EEF2K (0.48) KMT2ANPSR1MEN1NPC1RAB9A

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