SCHEMBL5813658

SCHEMBL5813658

CCCCCCCCCCCCCCc1n(CC)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
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
EEF2K O00418 2/20 0.39
EEF2 P13639 2/20 0.39
EGFR P00533 2/20 0.39
PLK4 O00444 1/20 0.39
JAK2 O60674 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 3/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
KCNH2 Q12809 2/20 0.33
AGTR1 P30556 1/20 0.32
TP53 P04637 2/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL5283762 1.00 CA1 (0.42) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5303113 1.00 CA1 (0.42) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5284279 1.00 CA1 (0.42) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5812380 1.00 CA1 (0.42) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5818236 1.00 CA1 (0.42) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5292796 1.00 CA1 (0.42) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5302337 1.00 CA1 (0.42) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5286946 1.00 CA1 (0.42) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5815754 1.00 CA1 (0.42) CA1CA2MEN1KMT2AEEF2K
SCHEMBL5810117 1.00 CA1 (0.42) 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