SCHEMBL7889676

SCHEMBL7889676

C=CCOc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPOX P50336 5/20 0.34
PTPN1 P18031 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BCAT1 P54687 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
SCHEMBL8543564 0.90 PPOX (0.36) PPOXBCAT1
SCHEMBL8543133 0.88 PPOX (0.46) PPOXBCAT1
SCHEMBL7881686 0.87 BCAT1 (0.32) PPOXBCAT1
SCHEMBL7887149 0.85 BCAT1 (0.31) BCAT1
SCHEMBL7889837 0.85 BCAT1 (0.33) PPOXPTPN1BCAT1
SCHEMBL6696956 0.85 BCAT2 (0.41) PPOXBCAT1
SCHEMBL10580695 0.84 PLA2G7 (0.39) BCAT1
SCHEMBL10576727 0.84 PTPN1 (0.35) PTPN1MEN1KMT2ABCAT1
SCHEMBL7881673 0.83 CRHR1 (0.34) MEN1KMT2ABCAT1
SCHEMBL10577120 0.83 CGAS (0.32) MEN1KMT2ABCAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174839-B1 AS HERBICIDE NIHON BAYER AGROCHEM K.K. (JP) 2001-01-16 US disclosed
US-5935907-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1999-08-10 US disclosed
EP-0869123-A2 Phenylacetylene derivatives NIHON BAYER AGROCHEM K.K. (JP) 1998-10-07 EP disclosed
US-4859229-A HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1989-08-22 US disclosed
EP-0255047-A1 3-Aryl uraciles and their use as herbicides CIBA-GEIGY AG (CH) 1988-02-03 EP disclosed