SCHEMBL5288470

SCHEMBL5288470

CCCCCc1n(CCC)cc[n+]1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
EEF2K O00418 2/20 0.39
EEF2 P13639 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PLK4 O00444 1/20 0.39
JAK2 O60674 1/20 0.39
EGFR P00533 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 0.33
CTDSP1 Q9GZU7 1/20 0.33
AGTR1 P30556 1/20 0.32
TLR8 Q9NR97 2/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL5299833 0.98 CA1 (0.44) CA1CA2EEF2KEEF2MEN1
SCHEMBL5287116 0.98 CA1 (0.44) CA1CA2EEF2KEEF2MEN1
SCHEMBL5285610 0.98 CA1 (0.44) CA1CA2EEF2KEEF2MEN1
SCHEMBL5290367 0.98 CA1 (0.44) CA1CA2EEF2KEEF2MEN1
SCHEMBL5299696 0.98 CA1 (0.44) CA1CA2EEF2KEEF2MEN1
SCHEMBL5296797 0.98 CA1 (0.44) CA1CA2EEF2KEEF2MEN1
SCHEMBL5291675 0.98 CA1 (0.44) CA1CA2EEF2KEEF2MEN1
SCHEMBL5294497 0.98 CA1 (0.44) CA1CA2EEF2KEEF2MEN1
SCHEMBL5290396 0.98 CA1 (0.44) CA1CA2EEF2KEEF2MEN1
SCHEMBL5296242 0.98 CA1 (0.44) CA1CA2EEF2KEEF2MEN1

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