SCHEMBL11206141

SCHEMBL11206141

O=[N+]1Cc2ccccc2NS1(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.36
PDE7B Q9NP56 1/20 0.36
AHR P35869 1/20 0.34
PDK2 Q15119 1/20 0.34
NPC1 O15118 2/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32
MAPT P10636 3/20 0.32
BRD4 O60885 1/20 0.31

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
SCHEMBL1149982 0.67 AHR (0.39) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL434317 0.67 AHR (0.39) PDE7APDE7BAHRPDK2NPC1
SCHEMBL31028936 0.67 AHR (0.39) PDE7APDE7BAHRPDK2NPC1
Hydrochloric Acid SCHEMBL16702451 0.65 AHR (0.38) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL7093325 0.65 GPR3 (0.34) MEN1KMT2ANOX1
SCHEMBL3535736 0.64 AHR (0.36) PDE7APDE7BAHRPDK2NPC1
SCHEMBL4558206 0.64 NPC1 (0.44) PDE7APDE7BAHRPDK2NPC1
SCHEMBL312207 0.64 ALOX15 (0.41) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL2254955 0.64 PDE7A (0.42) PDE7APDE7BAHRPDK2NPC1
SCHEMBL29515562 0.63 CA12 (0.50) AHRPDK2NPC1MEN1KMT2A

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
US-4401458-A HERBICIDES AND PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1983-08-30 US disclosed