SCHEMBL1128700

SCHEMBL1128700

[C]Sc1nn(-c2c(Cl)cc(C)cc2Cl)c(N)c1[S+](N)[O-]

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRP O00591 20/20 0.39
GABRD O14764 20/20 0.39
GABRA1 P14867 20/20 0.39
GABRB1 P18505 20/20 0.39
GABRG2 P18507 20/20 0.39
GABRB3 P28472 20/20 0.39
GABRA5 P31644 20/20 0.39
GABRA3 P34903 20/20 0.39
GABRA2 P47869 20/20 0.39
GABRB2 P47870 20/20 0.39
GABRA4 P48169 20/20 0.39
GABRE P78334 20/20 0.39
GABRA6 Q16445 20/20 0.39
GABRG1 Q8N1C3 20/20 0.39
GABRG3 Q99928 20/20 0.39
GABRQ Q9UN88 20/20 0.39

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
SCHEMBL1572492 0.81 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28074016 0.80 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL41425 0.77 L3MBTL1 (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28223150 0.76 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28605242 0.72 L3MBTL1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17548269 0.69 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9924417 0.69 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29892392 0.69 MAPK1 (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL677248 0.67 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12993977 0.66 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2442653-A2 FUNGICIDAL MIXTURES BASF SE (DE) 2012-04-25 EP claimed
EP-2442652-A2 FUNGICIDAL MIXTURES BASF SE (DE) 2012-04-25 EP claimed
EP-2442654-A2 FUNGICIDAL MIXTURES BASF SE (DE) 2012-04-25 EP claimed
WO-2010145999-A2 FUNGICIDAL MIXTURES BASF SE (DE) 2010-12-23 WO claimed
WO-2010146029-A2 FUNGICIDAL MIXTURES BASF SE (DE) 2010-12-23 WO claimed
WO-2010146006-A2 FUNGICIDAL MIXTURES BASF SE (DE) 2010-12-23 WO claimed
WO-2010146031-A2 FUNGICIDAL MIXTURES BASF SE (DE) 2010-12-23 WO claimed
EP-2809642-A1 ALKOXYLATES OF HYDROGENATED FARNESOLS AND USE THEREOF BASF SE (DE) 2014-12-10 EP disclosed
WO-2013113824-A1 ALKOXYLATES OF HYDROGENATED FARNESOLS AND USE THEREOF BASF SE (DE) 2013-08-08 WO disclosed
WO-2013113831-A1 ALKOXYLATES OF OPTIONALLY HYDROGENATED FARNESOLS AND USE THEREOF BASF SE (DE) 2013-08-08 WO disclosed
EP-2547200-A2 COMPOSITION COMPRISING A PESTICIDE AND AN ALKOXYLATE OF BRANCHED NONYLAMINE BASF SE (DE) 2013-01-23 EP disclosed
EP-2533631-A2 ANHYDROUS COMPOSITION COMPRISING A DISSOLVED PESTICIDE AND A SUSPENDED PESTICIDE, ALKYL LACTATE AND ALCOHOL BASF SE (DE) 2012-12-19 EP disclosed
EP-2506707-A1 METHOD FOR TREATING PHYTOPATHOGENIC MICROORGANISMS USING SURFACE-MODIFIED NANOPARTICULATE COPPER SALTS BASF SE (DE) 2012-10-10 EP disclosed
WO-2009077500-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 WO disclosed
WO-2009071389-A1 FUNGICIDE MIXTURES BASF SE (DE) 2009-06-11 WO disclosed
WO-2009071419-A1 FUNGICIDAL MIXTURES BASF SE (DE) 2009-06-11 WO disclosed
WO-2009071450-A1 FUNGICIDAL MIXTURE BASF SE (DE) 2009-06-11 WO disclosed
WO-2009053250-A1 FUNGICIDAL COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF TO COMBAT DAMAGING FUNGI, AND AGENTS COMPRISING THE SAME BASF SE (DE) 2009-04-30 WO disclosed
WO-2009019176-A2 FUNGICIDAL MIXTURES BASF SE (DE) 2009-02-12 WO disclosed
WO-2008132067-A2 ENZYMATIC METHOD FOR THE PRODUCTION OF MICROCAPSULES BASF SE (DE) 2008-11-06 WO disclosed