SCHEMBL9564366

SCHEMBL9564366

CCN/C(=C\C(=O)c1ccncc1)SC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.50
MAPT P10636 4/20 0.50
HPGD P15428 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
ALDH1A1 P00352 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CA1 P00915 2/20 0.46
CA9 Q16790 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
NAAA Q02083 1/20 0.40

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
SCHEMBL9564371 1.00 GAA (0.50) GAAMAPTHPGDLMNAHTT
SCHEMBL2692103 0.83 MAPT (0.52) GAAMAPTHPGDHTTALDH1A1
SCHEMBL2692097 0.83 MAPT (0.52) GAAMAPTHPGDHTTALDH1A1
SCHEMBL9564388 0.83 MAPT (0.52) GAAMAPTHPGDHTTALDH1A1
SCHEMBL10874394 0.82 MAPT (0.48) GAAMAPTHPGDLMNAHTT
SCHEMBL10869367 0.81 NR4A1 (0.43) MAPTALDH1A1KMT2AMEN1CYP1A1
SCHEMBL9848064 0.77 KMT2A (0.66) GAAMAPTHPGDLMNAHTT
SCHEMBL9564422 0.77 CES2 (0.40) MAPTHPGDCA1KMT2AMEN1
SCHEMBL9564413 0.77 CES2 (0.40) MAPTHPGDCA1KMT2AMEN1
SCHEMBL9564421 0.75 KDM4E (0.49) MAPTLMNAHTTALOX15ALDH1A1

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