Dipyrithione

Dipyrithione

SCHEMBL6176006

[O-][n+]1ccccc1SSc1cccc[n+]1[O-].c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.73

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.73
HTT P42858 2/20 0.73
SLC2A1 P11166 1/20 0.50
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 5/20 0.44
ALOX12 P18054 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
MAPK1 P28482 1/20 0.44
PTGS2 P35354 1/20 0.44
HTR2B P41595 1/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 3/20 0.40
MEN1 O00255 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
Dipyrithione SCHEMBL21165 0.85 LMNA (1.00) LMNAHTTSLC2A1HSD17B10L3MBTL1
Dipyrithione SCHEMBL29364114 0.85 LMNA (1.00) LMNAHTTSLC2A1HSD17B10L3MBTL1
Dipyrithione SCHEMBL10973086 0.83 LMNA (0.95) LMNAHTTSLC2A1HSD17B10L3MBTL1
Dipyrithione SCHEMBL11044641 0.83 LMNA (0.95) LMNAHTTSLC2A1HSD17B10L3MBTL1
Dipyrithione SCHEMBL22471518 0.83 LMNA (0.95) LMNAHTTSLC2A1HSD17B10L3MBTL1
Dipyrithione SCHEMBL6034282 0.83 LMNA (0.95) LMNAHTTSLC2A1HSD17B10L3MBTL1
Dipyrithione SCHEMBL2405182 0.83 LMNA (0.95) LMNAHTTSLC2A1HSD17B10L3MBTL1
Dipyrithione SCHEMBL10968452 0.83 LMNA (0.95) LMNAHTTSLC2A1HSD17B10L3MBTL1
Dipyrithione SCHEMBL11180245 0.81 LMNA (0.91) LMNAHTTSLC2A1HSD17B10L3MBTL1
Dipyrithione SCHEMBL11182588 0.81 LMNA (0.91) LMNAHTTSLC2A1HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590358-A1 9-KETOSPINOSYN DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2005-11-02 EP disclosed
EP-1556324-A2 2-PHENYL-2-SUBSTITUTED-1,3-DIKETONES Bayer CropScience AG (DE) 2005-07-27 EP disclosed
WO-2004065402-A1 9-KETOSPINOSYN DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-05 WO disclosed
WO-2004037749-A2 2-PHENYL-2-SUBSTITUTED-1,3-DIKETONES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-05-06 WO disclosed