SCHEMBL8464476

SCHEMBL8464476

CC(C)S(=O)(=O)Nc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.39
PGR P06401 2/20 0.34
SLC22A12 Q96S37 2/20 0.34
BCAT2 O15382 1/20 0.33
BCAT1 P54687 1/20 0.33
BRPF1 P55201 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
SCHEMBL8465633 0.89 AR (0.37) ARPGRSLC22A12BCAT2BCAT1
SCHEMBL8190792 0.87 AR (0.39) ARPGRSLC22A12BCAT2BCAT1
SCHEMBL8464575 0.85 MCL1 (0.35) BRPF1
SCHEMBL8466083 0.83 BCAT2 (0.34) PGRBCAT2BCAT1BRPF1
SCHEMBL8002260 0.78 AR (0.38) ARBCAT2BCAT1
SCHEMBL1574267 0.75 AR (0.38) ARSLC22A12BCAT2BCAT1
SCHEMBL9469308 0.74 POLB (0.41) ARBCAT2BCAT1
SCHEMBL6920290 0.74 VCAM1 (0.41) ARPGRBCAT2BCAT1
SCHEMBL8466109 0.73 MCL1 (0.32)
SCHEMBL8702012 0.73 SLC22A12 (0.33) PGRSLC22A12

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
US-5681794-A HERBICIDE BAYER AKTIENGESELLSCHAFT (DE) 1997-10-28 US claimed
US-5990044-A Selective herbicides based on aryl uracils BAYER AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed
US-5681794-A HERBICIDE BAYER AKTIENGESELLSCHAFT (DE) 1997-10-28 US disclosed
US-5593945-A HERBICIDES AND CHEMICAL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-14 US disclosed