SCHEMBL5283545

SCHEMBL5283545

CCCCCCCCCCCCCCCCCCc1n(CCCC)cc[n+]1CCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
EEF2K O00418 2/20 0.43
EEF2 P13639 2/20 0.43
PLK4 O00444 1/20 0.43
JAK2 O60674 1/20 0.43
EGFR P00533 1/20 0.43
TYK2 P29597 1/20 0.43
FLT3 P36888 1/20 0.43
BLM P54132 1/20 0.43
ITK Q08881 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL5288556 1.00 CA1 (0.47) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5293499 1.00 CA1 (0.47) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5293661 1.00 CA1 (0.47) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5287347 1.00 CA1 (0.47) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5293945 1.00 CA1 (0.47) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5298829 1.00 CA1 (0.47) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5282115 1.00 CA1 (0.47) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5291645 1.00 CA1 (0.47) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5294921 1.00 CA1 (0.47) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5285344 1.00 CA1 (0.47) 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