SCHEMBL5612019

SCHEMBL5612019

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cccnc2[CH]C(C)F)n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
CDK1 P06493 1/20 0.47
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL14366604 0.84 GAA (0.54) GAACDK1MAPTTP53GLA
SCHEMBL3679455 0.83 GAA (0.53) GAACDK1MAPTTP53GLA
SCHEMBL5612024 0.82 GAA (0.53) GAACDK1MAPTTP53GLA
SCHEMBL6056520 0.81 GAA (0.51) GAACDK1MAPTTP53GLA
SCHEMBL10681053 0.80 GAA (0.57) GAACDK1MAPTTP53GLA
SCHEMBL8097780 0.80 GAA (0.50) GAACDK1MAPTTP53GLA
SCHEMBL10498298 0.80 GAA (0.52) GAACDK1MAPTTP53GLA
SCHEMBL10616134 0.79 GAA (0.67) GAACDK1MAPTTP53GLA
SCHEMBL10845901 0.79 GAA (0.56) GAACDK1MAPTTP53GLA
SCHEMBL10933055 0.79 GAA (0.56) GAACDK1MAPTTP53ALDH1A1

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
EP-1836894-A1 Novel sulfonamide-containing solid formulations Bayer CropScience GmbH (DE) 2007-09-26 EP disclosed