SCHEMBL5283112

SCHEMBL5283112

CCCCCCCCCCC[n+]1ccn(C)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.61
CA2 P00918 5/20 0.61
HTT P42858 3/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
EEF2K O00418 2/20 0.45
EEF2 P13639 2/20 0.45
PLK4 O00444 1/20 0.45
JAK2 O60674 1/20 0.45
EGFR P00533 1/20 0.45
TYK2 P29597 1/20 0.45
FLT3 P36888 1/20 0.45
BLM P54132 1/20 0.45
ITK Q08881 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 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
SCHEMBL372253 1.00 CA1 (0.61) CA1CA2HTTMEN1KMT2A
SCHEMBL4068859 1.00 CA1 (0.61) CA1CA2HTTMEN1KMT2A
SCHEMBL1501429 1.00 CA1 (0.61) CA1CA2HTTMEN1KMT2A
SCHEMBL5287243 1.00 CA1 (0.61) CA1CA2HTTMEN1KMT2A
SCHEMBL4059675 1.00 CA1 (0.61) CA1CA2HTTMEN1KMT2A
SCHEMBL1826848 1.00 CA1 (0.61) CA1CA2HTTMEN1KMT2A
SCHEMBL4070935 1.00 CA1 (0.61) CA1CA2HTTMEN1KMT2A
SCHEMBL5304227 1.00 CA1 (0.61) CA1CA2HTTMEN1KMT2A
SCHEMBL5295196 1.00 CA1 (0.61) CA1CA2HTTMEN1KMT2A
SCHEMBL5293864 1.00 CA1 (0.61) CA1CA2HTTMEN1KMT2A

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