SCHEMBL5797604

SCHEMBL5797604

CCCC[n+]1ccn(C)c1C.[C-]#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
KMT2A Q03164 3/20 0.38
EEF2K O00418 2/20 0.38
EEF2 P13639 2/20 0.38
MEN1 O00255 2/20 0.38
PLK4 O00444 1/20 0.38
JAK2 O60674 1/20 0.38
EGFR P00533 1/20 0.38
TYK2 P29597 1/20 0.38
FLT3 P36888 1/20 0.38
BLM P54132 1/20 0.38
ITK Q08881 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
HTT P42858 2/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.30
RGS12 O14924 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL294424 0.94 CA1 (0.51) CA1CA2KMT2AEEF2KEEF2
SCHEMBL28239043 0.94 CA1 (0.51) CA1CA2KMT2AEEF2KEEF2
Bromide SCHEMBL711968 0.92 CA1 (0.54) CA1CA2KMT2AEEF2KEEF2
Hydrochloric Acid SCHEMBL192472 0.92 CA1 (0.50) CA1CA2KMT2AEEF2KEEF2
Fluoride Ion SCHEMBL1537052 0.92 CA1 (0.50) CA1CA2KMT2AEEF2KEEF2
Water SCHEMBL7031556 0.92 CA1 (0.50) CA1CA2KMT2AEEF2KEEF2
Iodide SCHEMBL596676 0.92 CA1 (0.50) CA1CA2KMT2AEEF2KEEF2
Hydrochloric Acid SCHEMBL7112028 0.91 CA1 (0.49) CA1CA2KMT2AEEF2KEEF2
SCHEMBL3309595 0.89 CA1 (0.58) CA1CA2KMT2AEEF2KEEF2
Thiocyanic Acid SCHEMBL5307355 0.88 CA1 (0.44) CA1CA2KMT2AEEF2KEEF2

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-2006053362-A2 METHOD FOR DEPOSITING LAYERS FROM IONIC LIQUIDS PLANSEE SE (AT) 2006-05-26 WO disclosed