SCHEMBL5790918

SCHEMBL5790918

COc1cc(OC)nc(NC(=O)NS(=O)(=O)Cc2[nH]ncc2C(=O)O)n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
CYP1A2 P05177 1/20 0.41
CDK1 P06493 1/20 0.39
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
ADRB2 P07550 1/20 0.34
TSHR P16473 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL8675059 0.88 ALDH1A1 (0.43) GAAMAPTTP53GLACYP1A2
SCHEMBL3673748 0.79 GAA (0.44) GAAMAPTTP53GLACYP1A2
SCHEMBL29386841 0.78 MAPT (0.51) GAAMAPTTP53GLACYP1A2
SCHEMBL20834 0.78 MAPT (0.51) GAAMAPTTP53GLACYP1A2
Bensulfuron Methyl SCHEMBL15019924 0.76 MAPT (0.48) GAAMAPTTP53GLACYP1A2
SCHEMBL8735409 0.76 GAA (0.47) GAAMAPTTP53GLACYP1A2
SCHEMBL5070450 0.76 GAA (0.47) GAAMAPTTP53GLACYP1A2
SCHEMBL8563567 0.75 MAPT (0.41) GAAMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL9755749 0.74 GAA (0.43) GAAMAPTTP53GLACYP1A2
SCHEMBL29046420 0.73 GAA (0.45) GAAMAPTTP53GLACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006009964-A2 NOVEL ESTERS AS USEFUL HERBICIDAL COMPOUNDS CORET JOEL MARCEL (US) 2006-01-26 WO claimed
WO-2020194164-A1 STABLE HERBICIDE FORMULATION OF PYRAZOSULFURON ETHYL UPL LIMITED (IN) 2020-10-01 WO disclosed
WO-2006009964-A2 NOVEL ESTERS AS USEFUL HERBICIDAL COMPOUNDS CORET JOEL MARCEL (US) 2006-01-26 WO disclosed
WO-2006009937-A2 NOVEL ESTERS AS USEFUL BROAD SPECTRUM HERBICIDAL COMPOUNDS CORET JOEL MARCEL (US) 2006-01-26 WO disclosed
WO-1997040681-A1 CHEMICAL ABSCISSION OF FRUITS AT LOW APPLICATION RATES WILCOX MERRILL (US) 1997-11-06 WO disclosed