SCHEMBL5811218

SCHEMBL5811218

CCCCCCCCCCCCCCc1n(C)cc[n+]1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
EEF2K O00418 2/20 0.37
EEF2 P13639 2/20 0.37
PLK4 O00444 1/20 0.37
JAK2 O60674 1/20 0.37
EGFR P00533 1/20 0.37
TYK2 P29597 1/20 0.37
FLT3 P36888 1/20 0.37
BLM P54132 1/20 0.37
ITK Q08881 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
KCNH2 Q12809 2/20 0.35
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
HTT P42858 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HSP90AA1 P07900 3/20 0.35

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
SCHEMBL5304428 1.00 CA1 (0.40) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5304207 1.00 CA1 (0.40) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5286849 1.00 CA1 (0.40) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5293502 1.00 CA1 (0.40) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5283094 1.00 CA1 (0.40) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5286344 1.00 CA1 (0.40) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5817006 1.00 CA1 (0.40) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5305552 1.00 CA1 (0.40) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5291237 1.00 CA1 (0.40) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5814162 1.00 CA1 (0.40) CA1CA2MEN1KMT2AEEF2K

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