SCHEMBL7798073

SCHEMBL7798073

COC(=O)Oc1cnn(-c2ccccn2)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
CDK1 P06493 1/20 0.38
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.34
KIT P10721 2/20 0.34
FLT3 P36888 2/20 0.34
FPR1 P21462 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
GRM4 Q14833 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2478711 0.90 TP53 (0.39) GAAMAPTTP53KMT2AKIT
SCHEMBL7932136 0.86 GAA (0.47) GAAMAPTTP53GLACDK1
SCHEMBL10921526 0.84 GAA (0.43) GAAMAPTTP53GLACDK1
SCHEMBL6905815 0.82 KMT2A (0.39) GAATP53KMT2AFPR1ALDH1A1
SCHEMBL10515589 0.82 HPGD (0.52) GAAMAPTTP53GLACDK1
SCHEMBL4459068 0.81 GAA (0.54) GAAMAPTTP53GLACDK1
SCHEMBL9821597 0.81 GAA (0.46) GAAMAPTTP53GLACDK1
SCHEMBL10618405 0.80 TP53 (0.42) GAAMAPTTP53GLACDK1
SCHEMBL28943274 0.78 HPGD (0.49) GAAMAPTTP53KMT2AFPR1
SCHEMBL9371994 0.76 GAA (0.50) GAAMAPTTP53GLACDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912089-B1 NOVEL N-ACYL SULPHONAMIDES, NOVEL MIXTURES OF HERBICIDES AND ANTIDOTES AND THEIR USE AVENTIS CROPSCIENCE GMBH (DE) 2001-11-28 EP disclosed
EP-0912089-A1 NOVEL N-ACYL SULPHONAMIDES, NOVEL MIXTURES OF HERBICIDES AND ANTIDOTES AND THEIR USE Hoechst Schering AgrEvo GmbH (DE) 1999-05-06 EP disclosed
WO-1997045016-A1 NOVEL N-ACYL SULPHONAMIDES, NOVEL MIXTURES OF HERBICIDES AND ANTIDOTES AND THEIR USE HOECHST SCHERING AGREVO GMBH (DE) 1997-12-04 WO disclosed