SCHEMBL5287375

SCHEMBL5287375

CC(C)n1cc[n+](C)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
SLC22A3 O75751 1/20 0.38
SLC6A4 P31645 1/20 0.38
RAB9A P51151 2/20 0.34
RCE1 Q9Y256 1/20 0.34
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 3/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
ACHE P22303 3/20 0.32
BCHE P06276 1/20 0.31
GAA P10253 2/20 0.31
MGAM O43451 1/20 0.31

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
SCHEMBL5292188 0.75 EEF2K (0.31) KMT2AMEN1
SCHEMBL5328381 0.75 CA1 (0.41) RAB9AKMT2AMEN1HTTSMN1; SMN2
SCHEMBL1830961 0.75 NPSR1 (0.47) SLC22A2SLC22A1SLC22A3SLC6A4RAB9A
SCHEMBL5304796 0.73 MEN1 (0.35) SLC6A4RAB9ARCE1KMT2ANPSR1
SCHEMBL5290694 0.72 SLC22A2 (0.39) SLC22A2SLC22A1SLC22A3SLC6A4RAB9A
SCHEMBL5301365 0.72 KMT2A (0.40) SLC6A4RAB9AKMT2ANPSR1MEN1
SCHEMBL5307535 0.71 KMT2A (0.42) SLC6A4RAB9AKMT2ANPSR1MEN1
SCHEMBL5328365 0.71 KMT2A (0.42) SLC6A4RAB9AKMT2ANPSR1MEN1
SCHEMBL5297689 0.71 KMT2A (0.42) SLC6A4RAB9AKMT2ANPSR1MEN1
SCHEMBL5324686 0.71 KMT2A (0.42) SLC6A4RAB9AKMT2ANPSR1MEN1

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