SCHEMBL9564388

SCHEMBL9564388

CCN/C(=C\C(=O)c1cccnc1)SC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
HPGD P15428 2/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 6/20 0.51
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
GAA P10253 3/20 0.51
THRB P10828 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
PLOD2 O00469 1/20 0.43
GFER P55789 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL2692097 1.00 MAPT (0.52) MAPTHPGDHTTALDH1A1RAB9A
SCHEMBL2692103 1.00 MAPT (0.52) MAPTHPGDHTTALDH1A1RAB9A
SCHEMBL2688974 0.85 MAPT (0.56) MAPTHPGDHTTALDH1A1RAB9A
SCHEMBL4971785 0.85 MAPT (0.56) MAPTHPGDHTTALDH1A1RAB9A
SCHEMBL2690403 0.84 MAPT (0.47) MAPTHPGDHTTALDH1A1RAB9A
SCHEMBL2690406 0.84 MAPT (0.47) MAPTHPGDHTTALDH1A1RAB9A
SCHEMBL9564366 0.83 GAA (0.50) MAPTHPGDHTTALDH1A1GAA
SCHEMBL9564371 0.83 GAA (0.50) MAPTHPGDHTTALDH1A1GAA
SCHEMBL1162892 0.79 MEN1 (0.62) MAPTHPGDHTTALDH1A1RAB9A
SCHEMBL8586678 0.77 MAPT (0.56) MAPTHPGDHTTALDH1A1RAB9A

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
EP-0563686-A1 Utilization of 3 substituted amino isoxazole derivatives against endoparasites, new 3 substituted amino isoxazols and process for their preparation BAYER AG (DE) 1993-10-06 EP disclosed