SCHEMBL11099200

SCHEMBL11099200

COC(=O)c1cscc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CDK1 P06493 1/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 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
SCHEMBL11101777 0.93 GAA (0.40) GAAKDM4ENPC1ALDH1A1CDK1
SCHEMBL11104340 0.92 GAA (0.38) GAAKDM4ENPC1ALDH1A1CDK1
SCHEMBL11097648 0.91 GAA (0.37) GAAKDM4ENPC1ALDH1A1CDK1
SCHEMBL10755902 0.86 GAA (0.38) GAAKDM4ENPC1ALDH1A1CDK1
SCHEMBL11100023 0.84 GAA (0.40) GAAKDM4ENPC1ALDH1A1CDK1
SCHEMBL11100645 0.84 GAA (0.44) GAAKDM4EALDH1A1CDK1MAPT
Metsulfuron-Methyl SCHEMBL9136999 0.83 NPC1 (0.46) GAAKDM4ENPC1ALDH1A1MAPT
Metsulfuron-Methyl SCHEMBL29378591 0.83 NPC1 (0.46) GAAKDM4ENPC1ALDH1A1MAPT
Metsulfuron-Methyl SCHEMBL21583 0.83 NPC1 (0.46) GAAKDM4ENPC1ALDH1A1MAPT
Metsulfuron-Methyl SCHEMBL29433235 0.83 NPC1 (0.46) GAAKDM4ENPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0030142-B1 HERBICIDAL UREAS, PREPARATION, COMPOSITIONS AND USE THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-12-05 EP claimed
EP-0030142-A2 Herbicidal ureas, preparation, compositions and use thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP claimed
EP-0030142-B1 HERBICIDAL UREAS, PREPARATION, COMPOSITIONS AND USE THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-12-05 EP disclosed
EP-0030142-A2 Herbicidal ureas, preparation, compositions and use thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP disclosed