SCHEMBL9710835

SCHEMBL9710835

N#Cc1c2n(c(=O)n1-c1cc(OS(=O)(=O)C(F)(F)F)c(Cl)cc1F)CCCC2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 0.32
PPOX P50336 4/20 0.31
PPARG P37231 1/20 0.31
RORC P51449 1/20 0.31
BCAT2 O15382 1/20 0.31
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
SCHEMBL9710798 0.84 PPOX (0.44) DHODHPPOXPPARGRORC
SCHEMBL9710809 0.84 PPOX (0.44) DHODHPPOXPPARGRORC
SCHEMBL9710915 0.83 BCAT2 (0.33) DHODHPPOXBCAT2BCAT1
SCHEMBL9710880 0.82 PPOX (0.38) PPOX
SCHEMBL9711080 0.81 PPOX (0.45) PPOXPPARGRORC
SCHEMBL9710833 0.80 PPOX (0.41) DHODHPPOX
SCHEMBL9710848 0.80 PPOX (0.37) PPOXPPARGRORC
SCHEMBL9710784 0.80 PPOX (0.39) DHODHPPOX
SCHEMBL9710881 0.80 PPOX (0.51) PPOX
SCHEMBL9710834 0.80 PPOX (0.36) PPOXPPARGRORC

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
WO-1992021662-A1 POSSIBLY CONDENSED PHENYLIMIDAZOLONES AND PYRIMIDINONES AS HERBICIDES; INTERMEDIATES DOWELANCO (US) 1992-12-10 WO disclosed