SCHEMBL8465633

SCHEMBL8465633

Cn1c(C(F)(F)F)cc(=O)n(-c2ccc(C#N)c(NS(C)(=O)=O)c2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.37
SLC22A12 Q96S37 2/20 0.35
BCAT2 O15382 1/20 0.35
BCAT1 P54687 1/20 0.35
PGR P06401 2/20 0.34
ALDH1A1 P00352 1/20 0.33
JAK2 O60674 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL8190792 0.90 AR (0.39) ARSLC22A12BCAT2BCAT1PGR
SCHEMBL8464476 0.89 AR (0.39) ARSLC22A12BCAT2BCAT1PGR
SCHEMBL8466103 0.84 MCL1 (0.36) ALDH1A1
SCHEMBL8323113 0.82 PGR (0.35) ARBCAT2BCAT1PGRALDH1A1
SCHEMBL8002260 0.81 AR (0.38) ARBCAT2BCAT1
SCHEMBL1574267 0.78 AR (0.38) ARSLC22A12BCAT2BCAT1
SCHEMBL9469308 0.77 POLB (0.41) ARBCAT2BCAT1
SCHEMBL6920290 0.76 VCAM1 (0.41) ARBCAT2BCAT1PGR
SCHEMBL8702012 0.76 SLC22A12 (0.33) SLC22A12PGRJAK2BRD4
SCHEMBL8853791 0.74 BCAT2 (0.35) SLC22A12BCAT2BCAT1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990044-A Selective herbicides based on aryl uracils BAYER AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed