SCHEMBL28058652

SCHEMBL28058652

CN(C)N=Cc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PC1 P35575 1/20 0.50
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
MAPT P10636 5/20 0.49
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.45
CASP1 P29466 1/20 0.45
HBB P68871 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 2/20 0.42
HTT P42858 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CHRM5 P08912 1/20 0.41
CHKA P35790 1/20 0.41
CTH P32929 1/20 0.41
MPO P05164 1/20 0.38

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
SCHEMBL14799522 0.83 MAPT (0.57) G6PC1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14799521 0.83 MAPT (0.57) G6PC1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10037535 0.77 MAPT (0.56) G6PC1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1131502 0.77 MAPT (0.56) G6PC1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1131506 0.77 MAPT (0.56) G6PC1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10673356 0.76 MAPT (0.54) G6PC1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9023270 0.76 MAPT (0.54) G6PC1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7662089 0.75 ALDH1A1 (0.62) G6PC1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7662092 0.75 ALDH1A1 (0.62) G6PC1NPC1RAB9ASMN1; SMN2MAPT
Water SCHEMBL9796169 0.75 G6PC1 (0.49) G6PC1NPC1RAB9ASMN1; SMN2MAPT

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
CN-105800710-A Anionic dye wastewater treatment agent 徐伟鹏 2016-07-27 CN disclosed