SCHEMBL5283594

SCHEMBL5283594

CCC[n+]1ccn(C(C)C)c1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.30
EEF2K O00418 1/20 0.30
PLK4 O00444 1/20 0.30
JAK2 O60674 1/20 0.30
EGFR P00533 1/20 0.30
EEF2 P13639 1/20 0.30
TYK2 P29597 1/20 0.30
FLT3 P36888 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
ITK Q08881 1/20 0.30
PIM2 Q9P1W9 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
SCHEMBL5300025 0.89 CA1 (0.44) CA1CA2HTTMEN1EEF2K
SCHEMBL5298576 0.87 CA1 (0.50) CA1CA2HTTMEN1EEF2K
SCHEMBL5301083 0.86 CA1 (0.30) CA1CA2
SCHEMBL5305946 0.85 CA1 (0.53) CA1CA2HTTMEN1EEF2K
SCHEMBL5817353 0.85 CA1 (0.53) CA1CA2HTTMEN1EEF2K
SCHEMBL5817479 0.85 CA1 (0.53) CA1CA2HTTMEN1EEF2K
SCHEMBL5303075 0.85 CA1 (0.53) CA1CA2HTTMEN1EEF2K
SCHEMBL5304137 0.85 CA1 (0.53) CA1CA2HTTMEN1EEF2K
SCHEMBL5290376 0.85 CA1 (0.53) CA1CA2HTTMEN1EEF2K
SCHEMBL5294748 0.85 CA1 (0.53) CA1CA2HTTMEN1EEF2K

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