SCHEMBL30423947

SCHEMBL30423947

CSC(SC)=C1C(=O)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 6/20 0.54
CDC25A P30304 5/20 0.54
MAP2K7 O14733 3/20 0.54
S100A4 P26447 6/20 0.50
MAPT P10636 6/20 0.50
TDP2 O95551 4/20 0.50
LMNA P02545 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 4/20 0.50
PLA2G1B P04054 3/20 0.50
ATG4B Q9Y4P1 3/20 0.50
HTT P42858 2/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
NSD2 O96028 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CCR6 P51684 1/20 0.50
APAF1 O14727 3/20 0.48
KDM4E B2RXH2 4/20 0.48

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
SCHEMBL6481220 1.00 CDC25B (0.54) CDC25BCDC25AMAP2K7S100A4MAPT
SCHEMBL3997199 0.76 PGR (0.37) CDC25BCDC25AMAP2K7S100A4MAPT
SCHEMBL12220363 0.75 CDC25B (0.55) CDC25BCDC25AMAP2K7S100A4MAPT
Anthraquinone SCHEMBL11302120 0.73 CDC25B (0.80) CDC25BCDC25AMAP2K7S100A4MAPT
SCHEMBL23790255 0.73 TDP2 (0.64) CDC25BCDC25AMAP2K7S100A4MAPT
SCHEMBL8289268 0.72 MAOA (0.33) CDC25BCDC25AMAP2K7MAPTLMNA
Anthraquinone SCHEMBL11696823 0.71 MEN1 (0.75) CDC25BCDC25AMAP2K7S100A4MAPT
SCHEMBL4036050 0.70 CASP3 (0.41) CDC25BCDC25AMAP2K7S100A4MAPT
SCHEMBL1287111 0.70 CDC25B (1.00) CDC25BCDC25AMAP2K7S100A4MAPT
Anthraquinone SCHEMBL5958714 0.70 CDC25B (0.86) CDC25BCDC25AMAP2K7S100A4MAPT

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-4182305-A1 NEMATICIDE COMPOUNDS, COMPOSITIONS, AND METHODS OF THEIR MAKING AND USE Iowa State University Research Foundation, Inc. (US) 2023-05-24 EP disclosed