SCHEMBL7945741

SCHEMBL7945741

O=C(COc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl)OCc1nc[nH]n1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPOX P50336 8/20 0.51
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL7956302 0.84 PPOX (0.70) PPOXGAAPKM
SCHEMBL11156913 0.83 PPOX (0.55) PPOXGAAPKM
SCHEMBL11038400 0.82 PPOX (0.54) PPOX
SCHEMBL10470290 0.82 PPOX (0.55) PPOX
Flumiciorac-Pentyl SCHEMBL38955 0.81 PPOX (0.57) PPOXGAAPKM
SCHEMBL38427 0.81 PPOX (0.51) PPOX
SCHEMBL8105304 0.80 PPOX (0.41) PPOX
SCHEMBL29077268 0.80 PPOX (0.53) PPOX
SCHEMBL11130895 0.79 PPOX (0.52) PPOX
SCHEMBL10621599 0.79 PPOX (0.56) PPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258751-B1 CONTROLLING WEEDS IN CROPS ROHM AND HAAS COMPANY 2001-07-10 US disclosed
EP-1061075-A2 Substituted triazoles, imidazoles and pyrazoles as herbicides ROHM AND HAAS COMPANY (US) 2000-12-20 EP disclosed