SCHEMBL28239043

SCHEMBL28239043

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.51
CA2 P00918 5/20 0.51
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
EEF2K O00418 2/20 0.41
EEF2 P13639 2/20 0.41
PLK4 O00444 1/20 0.41
JAK2 O60674 1/20 0.41
EGFR P00533 1/20 0.41
TYK2 P29597 1/20 0.41
FLT3 P36888 1/20 0.41
BLM P54132 1/20 0.41
ITK Q08881 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
HTT P42858 4/20 0.35
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33

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 1.00 CA1 (0.51) CA1CA2KMT2AMEN1EEF2K
Iodide SCHEMBL596676 0.98 CA1 (0.50) CA1CA2KMT2AMEN1EEF2K
Fluoride Ion SCHEMBL1537052 0.98 CA1 (0.50) CA1CA2KMT2AMEN1EEF2K
Water SCHEMBL7031556 0.98 CA1 (0.50) CA1CA2KMT2AMEN1EEF2K
Hydrochloric Acid SCHEMBL192472 0.98 CA1 (0.50) CA1CA2KMT2AMEN1EEF2K
Bromide SCHEMBL711968 0.98 CA1 (0.54) CA1CA2KMT2AMEN1EEF2K
Hydrochloric Acid SCHEMBL7112028 0.96 CA1 (0.49) CA1CA2KMT2AMEN1EEF2K
SCHEMBL5797604 0.94 CA1 (0.47) CA1CA2KMT2AMEN1EEF2K
SCHEMBL3309595 0.94 CA1 (0.58) CA1CA2KMT2AMEN1EEF2K
SCHEMBL20490656 0.93 CA1 (0.46) CA1CA2KMT2AMEN1EEF2K

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108363221-B Adjustable long-wave-pass filter based on graphene 北京大学 2020-04-03 CN disclosed
CN-108535892-B Liquid electrode electro-optical modulator for graphene photonic crystal fiber 北京大学 2020-04-03 CN disclosed
CN-108535892-A Graphene photonic crystal fiber liquid electrode electrooptic modulator 北京大学 2018-09-14 CN disclosed
CN-108363221-A Adjustable long wave flow-through optical filter based on graphene 北京大学 2018-08-03 CN disclosed