SCHEMBL5288010

SCHEMBL5288010

CCCCc1n(CCCC)cc[n+]1CCC

nearest known ligand 0.42

Predicted protein targets (top 18)

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
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 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
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
AGTR1 P30556 1/20 0.34
TLR8 Q9NR97 2/20 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
SCHEMBL5298424 0.95 KMT2A (0.44) CA1CA2EEF2KEEF2KMT2A
SCHEMBL5283000 0.95 CA1 (0.44) CA1CA2EEF2KEEF2KMT2A
SCHEMBL5282470 0.95 CA1 (0.43) CA1CA2EEF2KEEF2KMT2A
SCHEMBL5300160 0.93 MEN1 (0.47) CA1CA2EEF2KEEF2KMT2A
SCHEMBL5301152 0.93 MEN1 (0.47) CA1CA2EEF2KEEF2KMT2A
SCHEMBL5298829 0.93 CA1 (0.47) CA1CA2EEF2KEEF2KMT2A
SCHEMBL5289642 0.93 MEN1 (0.47) CA1CA2EEF2KEEF2KMT2A
SCHEMBL5283545 0.93 CA1 (0.47) CA1CA2EEF2KEEF2KMT2A
SCHEMBL5293945 0.93 CA1 (0.47) CA1CA2EEF2KEEF2KMT2A
SCHEMBL5294921 0.93 CA1 (0.47) CA1CA2EEF2KEEF2KMT2A

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