SCHEMBL20475482

SCHEMBL20475482

CN1CCN(c2ccc(-c3ccc(N)c(N)c3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
KDM4E B2RXH2 2/20 0.60
GAA P10253 2/20 0.60
PTK2B Q14289 2/20 0.60
MAPK1 P28482 1/20 0.60
HTT P42858 1/20 0.60
RECQL P46063 1/20 0.60
ADRA2C P18825 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 2/20 0.59
GFER P55789 1/20 0.59
ESR2 Q92731 1/20 0.59
JAK2 O60674 1/20 0.57
ASIC3 Q9UHC3 1/20 0.52
FYN P06241 3/20 0.50
MEN1 O00255 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SIRT6 Q8N6T7 2/20 0.48
CHKA P35790 1/20 0.48
HDAC3 O15379 1/20 0.47

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
SCHEMBL31173630 1.00 MAPT (0.60) MAPTKDM4EGAAPTK2BMAPK1
SCHEMBL29745032 0.85 GAA (0.73) MAPTKDM4EGAAPTK2BMAPK1
SCHEMBL76547 0.85 GAA (0.73) MAPTKDM4EGAAPTK2BMAPK1
Ammonia Solution, Strong SCHEMBL14746306 0.84 GAA (0.71) MAPTKDM4EGAAPTK2BMAPK1
SCHEMBL24838802 0.83 HDAC3 (0.54) MAPTKDM4EGAAPTK2BMAPK1
SCHEMBL25894824 0.82 MAPT (0.88) MAPTKDM4EGAAPTK2BMAPK1
SCHEMBL16053964 0.81 LGMN (0.62) MAPTKDM4EMAPK1HTTKMT2A
SCHEMBL28845811 0.80 ADRA2C (0.70) MAPTKDM4EGAAPTK2BMAPK1
SCHEMBL3935104 0.79 MAPT (0.65) MAPTKDM4EGAAPTK2BMAPK1
SCHEMBL30565926 0.79 MAPT (0.65) MAPTKDM4EGAAPTK2BMAPK1

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-2018151810-A1 DEFINING RNA-SMALL MOLECULE AFFINITY LANDSCAPES ENABLES DESIGN OF A SMALL MOLECULAR INHIBITOR OF AN ONCOGENIC NON-CODING RNA THE SCRIPPS RESEARCH INSTITUTE (US) 2018-08-23 WO disclosed