SCHEMBL8859618

SCHEMBL8859618

COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2nc(OC)cc(OC)n2)n1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
CYP1A2 P05177 1/20 0.57
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
GLA P06280 1/20 0.48
ALOX15 P16050 1/20 0.47
CDK1 P06493 1/20 0.47
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 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
SCHEMBL8859540 0.93 ALOX15 (0.57) GAACYP1A2MAPTTP53GLA
SCHEMBL9086239 0.85 GAA (0.57) GAACYP1A2MAPTTP53GLA
SCHEMBL8676026 0.84 GAA (0.63) GAACYP1A2MAPTTP53GLA
SCHEMBL10859355 0.84 GAA (0.63) GAACYP1A2MAPTTP53GLA
SCHEMBL10949052 0.83 GAA (0.53) GAACYP1A2MAPTTP53GLA
SCHEMBL8780934 0.83 GAA (0.61) GAACYP1A2MAPTTP53GLA
SCHEMBL7800046 0.83 GAA (0.61) GAACYP1A2MAPTTP53GLA
SCHEMBL10948960 0.82 GAA (0.52) GAACYP1A2MAPTTP53GLA
SCHEMBL10949384 0.82 GAA (0.52) GAACYP1A2MAPTTP53GLA
SCHEMBL8431787 0.82 CYP1A2 (0.75) GAACYP1A2MAPTTP53GLA

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-5610121-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-11 US disclosed