SCHEMBL8845296

SCHEMBL8845296

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(-c3cnn(C)n3)cnn2C)n1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
CDK1 P06493 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
BRD4 O60885 1/20 0.33
BRD3 Q15059 1/20 0.33
NLRP3 Q96P20 2/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL55386 0.85 GAA (0.49) GAACDK1CYP1A2MAPTTP53
SCHEMBL10921018 0.84 GAA (0.48) GAACDK1CYP1A2MAPTTP53
SCHEMBL116670 0.81 GAA (0.53) GAACDK1CYP1A2MAPTTP53
SCHEMBL9661255 0.81 GAA (0.53) GAACDK1CYP1A2MAPTTP53
SCHEMBL1535829 0.81 GAA (0.53) GAACDK1CYP1A2MAPTTP53
SCHEMBL3388097 0.81 GAA (0.46) GAACDK1CYP1A2MAPTTP53
SCHEMBL10772751 0.81 GAA (0.46) GAACDK1CYP1A2MAPTTP53
SCHEMBL9878291 0.80 GAA (0.44) GAACDK1CYP1A2MAPTNLRP3
SCHEMBL10727714 0.80 GAA (0.45) GAACDK1CYP1A2MAPTTP53
SCHEMBL8626947 0.80 GAA (0.45) GAACDK1CYP1A2MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9124419-A None JP disclosed
JP-H09124419-A HERBICIDAL COMPOSITION FOR CONTROLLING WEED IN RICE FARMING E I DU PONT DE NEMOURS & CO 1997-05-13 JP disclosed