SCHEMBL5288018

SCHEMBL5288018

CCCCc1n(CCC)cc[n+]1CCCC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
EEF2K O00418 2/20 0.36
EEF2 P13639 2/20 0.36
MEN1 O00255 1/20 0.36
PLK4 O00444 1/20 0.36
JAK2 O60674 1/20 0.36
EGFR P00533 1/20 0.36
TYK2 P29597 1/20 0.36
FLT3 P36888 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
ITK Q08881 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
AGTR1 P30556 1/20 0.34

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
SCHEMBL5283003 0.95 CA1 (0.48) CA1CA2EEF2KEEF2MEN1
SCHEMBL5298420 0.95 CA1 (0.51) CA1CA2EEF2KEEF2MEN1
SCHEMBL5282466 0.95 CA1 (0.46) CA1CA2EEF2KEEF2MEN1
SCHEMBL5303580 0.93 CA1 (0.54) CA1CA2EEF2KEEF2MEN1
SCHEMBL5287352 0.93 CA1 (0.50) CA1CA2EEF2KEEF2MEN1
SCHEMBL5283550 0.93 CA1 (0.50) CA1CA2EEF2KEEF2MEN1
SCHEMBL5293100 0.93 CA1 (0.54) CA1CA2EEF2KEEF2MEN1
SCHEMBL5294919 0.93 CA1 (0.50) CA1CA2EEF2KEEF2MEN1
SCHEMBL5293504 0.93 CA1 (0.50) CA1CA2EEF2KEEF2MEN1
SCHEMBL5286095 0.93 CA1 (0.54) 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