SCHEMBL987342

SCHEMBL987342

CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2c(C)cccc2C(=O)O)n1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 4/20 0.46
MAPK8 P45983 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL127064 0.85 MAPT (0.61) ALDH1A1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL30534024 0.85 MAPT (0.61) ALDH1A1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL29376940 0.85 MAPT (0.61) ALDH1A1SMN1; SMN2MAPTKDM4ENPC1
Ethametsulfuron Methyl SCHEMBL15019468 0.81 MAPT (0.56) ALDH1A1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL694106 0.80 GAA (0.41) ALDH1A1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL11069338 0.79 KMT2A (0.38) ALDH1A1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL29415215 0.79 MEN1 (0.39) ALDH1A1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL55458 0.79 MEN1 (0.39) ALDH1A1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL4047516 0.79 GAA (0.45) ALDH1A1KDM4E
SCHEMBL11072814 0.79 KMT2A (0.40) ALDH1A1KDM4E

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647097-B1 DRY FLOWABLE AGRICULTURAL COMPOSITIONS OF GLYPHOSATE MADE WITHOUT DRYING OF THE FINAL PRODUCT DU PONT (US) 1998-11-11 EP claimed
EP-0575489-B1 WATER-DISPERSIBLE GRANULAR AGRICULTURAL COMPOSITIONS MADE BY HEAT EXTRUSION DU PONT (US) 1997-07-02 EP claimed
EP-0637909-B1 REVERSIBLE AGRICULTURAL GEL AND PASTE FORMULATIONS DU PONT (US) 1997-02-26 EP claimed
EP-2301352-A1 Herbicide based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and dimethamid Bayer CropScience AG (DE) 2011-03-30 EP disclosed
EP-2279663-A2 Herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and mesotrione Bayer CropScience Aktiengesellschaft (DE) 2011-02-02 EP disclosed
EP-2272364-A2 Herbicide based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and propoxycarbazone-sodium Bayer CropScience Aktiengesellschaft (DE) 2011-01-12 EP disclosed
EP-2272354-A2 Herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and diflufenican Bayer CropScience AG (DE) 2011-01-12 EP disclosed
EP-2272362-A2 Herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and mesosulfuron Bayer CropScience AG (DE) 2011-01-12 EP disclosed
EP-2272359-A2 Herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and glufosinate-ammonium Bayer CropScience AG (DE) 2011-01-12 EP disclosed
EP-2272351-A2 Herbicide based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and amidosulfuron Bayer CropScience AG (DE) 2011-01-12 EP disclosed
EP-2272358-A2 Herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and foramsulfuron Bayer CropScience AG (DE) 2011-01-12 EP disclosed
EP-2272355-A2 Herbicide based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and Fenoxaprop-(P)-ethyl Bayer CropScience AG (DE) 2011-01-12 EP disclosed
EP-2272360-A2 Herbicide based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and glyphosate-isopropylammonium Bayer CropScience AG (DE) 2011-01-12 EP disclosed
EP-2272357-A2 Herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and flurtamone Bayer CropScience AG (DE) 2011-01-12 EP disclosed
EP-2272356-A2 Herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and flufenacet Bayer CropScience AG (DE) 2011-01-12 EP disclosed
EP-2272353-A2 Herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and dicamba Bayer CropScience AG (DE) 2011-01-12 EP disclosed
EP-2272366-A2 Herbicide based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and terbuthylazine Bayer CropScience Aktiengesellschaft (DE) 2011-01-12 EP disclosed
EP-2272363-A2 Herbicide based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and metolachlor Bayer CropScience Aktiengesellschaft (DE) 2011-01-12 EP disclosed
EP-2272365-A2 Herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and sulcotrione Bayer CropScience Aktiengesellschaft (DE) 2011-01-12 EP disclosed
EP-1743527-A2 herbicides based on substituted carboxylic acid anilides Bayer CropScience Aktiengesellschaft (DE) 2007-01-17 EP disclosed