SCHEMBL1804432

SCHEMBL1804432

O=C1c2ccccc2C(=O)C(S(=O)(=O)O)C1S(=O)(=O)O.[NaH].[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
S100A4 P26447 3/20 0.44
POLB P06746 2/20 0.44
CDC25B P30305 1/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR2B P41595 1/20 0.41
APAF1 O14727 2/20 0.41
TDP2 O95551 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HBB P68871 2/20 0.41
ALOX15 P16050 1/20 0.41
THRB P10828 2/20 0.40
MAOA P21397 2/20 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
SCHEMBL7561441 0.84 SLC25A5 (0.40) MEN1KMT2AS100A4POLBCDC25B
SCHEMBL1804430 0.73 MEN1 (0.44) MEN1KMT2AS100A4POLBCDC25B
Anthraquinone SCHEMBL5348481 0.72 MEN1 (0.71) MEN1KMT2AS100A4POLBCDC25B
Anthraquinone SCHEMBL3895044 0.69 MEN1 (0.75) MEN1KMT2AS100A4POLBCDC25B
Sulfuric Acid SCHEMBL3380495 0.68 MAPT (0.59) MEN1KMT2AS100A4POLBCDC25B
SCHEMBL6081753 0.67 MEN1 (0.55) MEN1KMT2AS100A4POLBCDC25B
SCHEMBL10344203 0.67 MEN1 (0.55) MEN1KMT2AS100A4POLBCDC25B
SCHEMBL30665368 0.67 MEN1 (0.55) MEN1KMT2AS100A4POLBCDC25B
Anthraquinone SCHEMBL28860881 0.67 MEN1 (0.71) MEN1KMT2AS100A4POLBCDC25B
Naphthoquinone SCHEMBL5157263 0.67 IDO1 (0.70) MEN1KMT2AS100A4POLBCDC25B

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-2011055142-A2 1,4-QUINONES AND THEIR SULFUR ANALOGUES USEFUL AS LIGANDS OF N-ACETYLTRANSFERASES ISIS INNOVATION LIMITED (GB) 2011-05-12 WO disclosed