SCHEMBL6104604

SCHEMBL6104604

CCS(=O)(=O)Nc1cc(-n2nc(C(F)F)n(C)c2=S)c(F)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.39
AR P10275 1/20 0.38
BRD4 O60885 1/20 0.34
PSIP1 O75475 1/20 0.31
SLC22A12 Q96S37 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
SCHEMBL6307772 0.90 PPOX (0.33) PGRAR
SCHEMBL6310409 0.89 PGR (0.39) PGRARBRD4
SCHEMBL6310920 0.82 PGR (0.35) PGRARBRD4PSIP1
SCHEMBL6102981 0.82 DHODH (0.34) PGRBRD4PSIP1
SCHEMBL6316627 0.79 PPOX (0.40) PGR
SCHEMBL6308458 0.76 PGR (0.40) PGRARBRD4
Potassium SCHEMBL7157685 0.75 PGR (0.39) PGRARBRD4
SCHEMBL7157679 0.75 PGR (0.39) PGRARBRD4
SCHEMBL6174842 0.75 PGR (0.41) PGRARBRD4PSIP1SLC22A12
SCHEMBL8524691 0.74 PGR (0.31) PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39263-E1 Substituted aromatic thiocarboxylic acid amides and their use as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2006-09-05 US disclosed
EP-0758324-B1 SUBSTITUTED AROMATIC THIOCARBOXYLIC ACID AMIDES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2005-03-16 EP disclosed
US-6451736-B1 REACTION OF THE AROMATIC NITRILE WITH HYDROGEN SULFIDE OR WITH THIOACETAMIDE; STRONG AND SELECTIVE HERBICIDAL ACTIVITY. BAYER AKTIENGESELLSCHAFT (DE) 2002-09-17 US disclosed
US-6420316-B1 1-(2-HALO-4-THIOCARBAMIDO-5-METHYLSULPHONYLAMIDOPHENYL)-3-DI-O R TRIFLUOROMETHYL-4-ALKYL-3H-1,2,4-TRIAZOLIN-5-ONES; THIO-CARBONYLATION OF A BENZONITRILE; DESICCANTS; DEFOLIANTS; CONTROLLING WEEDS, SUCH AS MONO- AND DICOTYLEDONS IN CROPS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-16 US disclosed
US-6331507-B1 Substituted aromatic thiocarboxylic acid amides and their use as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2001-12-18 US disclosed
US-6077813-A 1-(THICARBONYLAMINO),4-(1,2,4-TRIAZOL-1-YL)BENZENES; PRE- AND POSTEMERGENT HERBICIDES; MONO- AND DICOTYLEDONS; SELECTIVE CONTROL BAYER AKTIENGESELLSCHAFT (DE) 2000-06-20 US disclosed
EP-0758324-A1 SUBSTITUTED AROMATIC THIOCARBOXYLIC ACID AMIDES AND THEIR USE AS HERBICIDES BAYER AG (DE) 1997-02-19 EP disclosed
WO-1995030661-A1 SUBSTITUTED AROMATIC THIOCARBOXYLIC ACID AMIDES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-11-16 WO disclosed