SCHEMBL5815439

SCHEMBL5815439

CCCCCCCCCCCCCCCCCCCn1cc[n+](CCC)c1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.67
CA2 P00918 6/20 0.67
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
EEF2K O00418 2/20 0.66
EEF2 P13639 2/20 0.66
PLK4 O00444 1/20 0.66
JAK2 O60674 1/20 0.66
EGFR P00533 1/20 0.66
TYK2 P29597 1/20 0.66
FLT3 P36888 1/20 0.66
BLM P54132 1/20 0.66
ITK Q08881 1/20 0.66
PIM2 Q9P1W9 1/20 0.66
HTT P42858 6/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 3/20 0.39
SMN1; SMN2 Q16637 3/20 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
SCHEMBL5283952 1.00 CA1 (0.67) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5303302 1.00 CA1 (0.67) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5305903 1.00 CA1 (0.67) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5304877 1.00 CA1 (0.67) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5307456 1.00 CA1 (0.67) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5811876 1.00 CA1 (0.67) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5284508 1.00 CA1 (0.67) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5285280 1.00 CA1 (0.67) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5307950 1.00 CA1 (0.67) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5298820 1.00 CA1 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed