SCHEMBL5283654

SCHEMBL5283654

CCCCCCCCCCCCCCCC[n+]1ccn(CC)c1CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
EEF2K O00418 2/20 0.39
EEF2 P13639 2/20 0.39
EGFR P00533 2/20 0.39
PLK4 O00444 1/20 0.39
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39
FLT3 P36888 1/20 0.39
BLM P54132 1/20 0.39
ITK Q08881 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5294762 1.00 CA1 (0.53) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5293911 1.00 CA1 (0.53) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5290668 1.00 CA1 (0.53) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5289091 1.00 CA1 (0.53) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5296596 1.00 CA1 (0.53) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5288581 1.00 CA1 (0.53) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5293020 1.00 CA1 (0.53) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5290079 1.00 CA1 (0.53) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5294794 1.00 CA1 (0.53) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5303720 1.00 CA1 (0.53) CA1CA2KMT2AMEN1EEF2K

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