SCHEMBL18543003

SCHEMBL18543003

CNc1nc(CN2CCN(c3ccc(OC)cc3)CC2)nc(Nc2cccc(C)c2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.65
USP2 O75604 7/20 0.65
SLC29A2 Q14542 2/20 0.65
SLC29A1 Q99808 2/20 0.65
POLB P06746 1/20 0.65
ALDH1A1 P00352 7/20 0.61
GAA P10253 2/20 0.61
MAPK1 P28482 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
TP53 P04637 1/20 0.61
TSHR P16473 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.58
HSD17B10 Q99714 2/20 0.58
CYBB P04839 5/20 0.57
NOX4 Q9NPH5 5/20 0.57
NOX1 Q9Y5S8 3/20 0.57
NOX3 Q9HBY0 2/20 0.57
LMNA P02545 2/20 0.55

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
SCHEMBL18542996 0.90 MAPT (0.80) MAPTUSP2SLC29A2SLC29A1POLB
SCHEMBL18542998 0.81 MAPT (0.76) MAPTUSP2SLC29A2SLC29A1POLB
SCHEMBL21530475 0.74 MAPT (0.85) MAPTUSP2SLC29A2SLC29A1POLB
SCHEMBL4544846 0.73 MAPT (0.59) MAPTPOLBALDH1A1GAAMAPK1
SCHEMBL824521 0.73 MAPT (0.59) MAPTPOLBALDH1A1GAAMAPK1
SCHEMBL14184730 0.73 APP (0.48) MAPTPOLBALDH1A1GAAMEN1
SCHEMBL15662479 0.72 CYBB (1.00) MAPTUSP2SLC29A2SLC29A1POLB
SCHEMBL4544867 0.71 MAPT (0.56) MAPTPOLBALDH1A1GAAMAPK1
SCHEMBL15660042 0.71 CYBB (1.00) MAPTUSP2SLC29A2SLC29A1POLB
SCHEMBL17999847 0.71 CYBB (1.00) MAPTUSP2SLC29A2SLC29A1POLB

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-2017031116-A1 SMALL MOLECULE INHIBITORS OF KU70/80 AND USES THEREOF THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-02-23 WO disclosed