SCHEMBL13328680

SCHEMBL13328680

COc1nc(NC(=O)NS(=O)(=O)c2c(C)cccc2OCCF)nc(C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FBP1 P09467 2/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
USP2 O75604 2/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL3292786 0.89 GAA (0.39) GAAALDH1A1NPC1KDM4EMEN1
SCHEMBL3292077 0.88 GAA (0.39) GAAALDH1A1NPC1KDM4EMEN1
SCHEMBL3292086 0.88 GAA (0.41) GAAALDH1A1NPC1KDM4EMEN1
SCHEMBL13369566 0.87 GAA (0.39) GAAALDH1A1NPC1KDM4EKMT2A
SCHEMBL3289303 0.85 GAA (0.37) GAAALDH1A1NPC1KDM4EMEN1
SCHEMBL13078771 0.85 GAA (0.38) GAAALDH1A1NPC1KDM4EMEN1
SCHEMBL13044795 0.83 GAA (0.55) GAAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3600638 0.80 GAA (0.45) GAAALDH1A1NPC1KDM4EMEN1
SCHEMBL13328707 0.79 GAA (0.41) GAAALDH1A1NPC1KDM4EMAPT
SCHEMBL13328703 0.75 GAA (0.40) GAAALDH1A1NPC1KDM4EMAPT

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-7723267-B2 Substituted fluoroalcoxyphenylsulfonylurea BAYER CROPSCIENCE AG (DE) 2010-05-25 US disclosed