SCHEMBL21963676

SCHEMBL21963676

c1cc(-c2cnns2)ncn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
RUNX1 Q01196 2/20 0.38
CBFB Q13951 2/20 0.38
GFER P55789 1/20 0.38
MAPK14 Q16539 2/20 0.36
MAPK10 P53779 1/20 0.36
MAPK9 P45984 2/20 0.34
GSK3B P49841 2/20 0.34
DCLK1 O15075 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
EGFR P00533 1/20 0.34
PRKACA P17612 1/20 0.34
FLT3 P36888 1/20 0.34
FRK P42685 1/20 0.34

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
SCHEMBL4008739 0.73 MAPT (0.48) HSP90AA1MAPTALDH1A1HTTMAPK14
SCHEMBL22335464 0.71 MAPT (0.43) MAPTALDH1A1HTTGAAHPGD
SCHEMBL30595872 0.71 HSP90AA1 (0.52) HSP90AA1MAPTMAPK14MAPK10MAPK9
SCHEMBL2814353 0.71 HSP90AA1 (0.52) HSP90AA1MAPTMAPK14MAPK10MAPK9
SCHEMBL3091105 0.71 PIM1 (0.40) HSP90AA1MAPTMAPK14MAPK10MAPK9
SCHEMBL13910999 0.69 HSP90AA1 (0.50) HSP90AA1MAPTMAPK14MAPK10MAPK9
SCHEMBL18331590 0.68 HSP90AA1 (0.41) HSP90AA1MAPTALDH1A1HTTGAA
SCHEMBL16526023 0.68 HSP90AA1 (0.47) HSP90AA1MAPTALDH1A1HTTHPGD
SCHEMBL2348958 0.67
SCHEMBL29793621 0.67 HSP90AA1 (0.39) HSP90AA1MAPTMAPK14MAPK10MAPK9

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-2020099407-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed