SCHEMBL17445488

SCHEMBL17445488

O=C(O)CCSC1=CC(=O)C(=O)c2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 6/20 0.78
CDC25A P30304 4/20 0.78
MAP2K7 O14733 3/20 0.78
S100A4 P26447 3/20 0.78
MEN1 O00255 2/20 0.50
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.50
FGB P02675 1/20 0.50
SOAT1 P35610 11/20 0.49
NSD2 O96028 1/20 0.44
BLM P54132 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL2599351 0.88 S100A4 (1.00) CDC25BCDC25AMAP2K7S100A4SOAT1
SCHEMBL4629512 0.82 S100A4 (0.76) CDC25BCDC25AMAP2K7S100A4MEN1
SCHEMBL4657692 0.79 CDC25B (0.56) CDC25BCDC25AMAP2K7S100A4MEN1
SCHEMBL17445487 0.76 SOAT1 (0.51) CDC25BCDC25AMAP2K7S100A4SOAT1
SCHEMBL4848419 0.75 SOAT1 (0.78) CDC25BCDC25AMAP2K7S100A4SOAT1
SCHEMBL9437104 0.75 CDC25A (0.67) CDC25BCDC25AMAP2K7S100A4MEN1
SCHEMBL9270311 0.74 S100A4 (0.76) CDC25BCDC25AMAP2K7S100A4SOAT1
SCHEMBL9437121 0.74 CDC25B (0.65) CDC25BCDC25AMAP2K7S100A4MEN1
SCHEMBL7081685 0.73 CDC25B (1.00) CDC25BCDC25AMAP2K7S100A4MEN1
SCHEMBL29527717 0.73 CDC25B (1.00) CDC25BCDC25AMAP2K7S100A4MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160017399-A1 ELECTROCHEMICAL-BASED ANALYTICAL TEST STRIP WITH ENZYMATIC REAGENT LAYER CONTAINING A NAPHTHOQUINONE-BASED MEDIATOR AND FAD-GDH LIFESCAN SCOTLAND LIMITED (GB) 2016-01-21 US disclosed
US-20160017399-A1 ELECTROCHEMICAL-BASED ANALYTICAL TEST STRIP WITH ENZYMATIC REAGENT LAYER CONTAINING A NAPHTHOQUINONE-BASED MEDIATOR AND FAD-GDH LIFESCAN SCOTLAND LIMITED (GB) 2016-01-21 US disclosed