SCHEMBL798616

SCHEMBL798616

COc1nn(C)c(=O)n1-c1ccccc1CON=C(C)c1cccc(S(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.34
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
PPARG P37231 4/20 0.32
PPARA Q07869 3/20 0.32
HIF1A Q16665 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
SCHEMBL798615 1.00 RXFP1 (0.34) RXFP1CA1CA2PPARGPPARA
SCHEMBL959562 0.88 KMT2A (0.37) PPARGPPARA
SCHEMBL119998 0.88 KMT2A (0.37) PPARGPPARA
SCHEMBL29870686 0.88 KMT2A (0.37) PPARGPPARA
SCHEMBL119997 0.88 KMT2A (0.37) PPARGPPARA
SCHEMBL7006649 0.84 KMT2A (0.36) PPARGPPARAHIF1A
SCHEMBL8445662 0.84 PPARG (0.33) PPARGPPARAHIF1A
SCHEMBL8445661 0.84 PPARG (0.33) PPARGPPARAHIF1A
SCHEMBL8310893 0.81 PPARG (0.31) PPARGPPARA
SCHEMBL8791884 0.81 PPARG (0.39) PPARGPPARAHIF1A

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
EP-2616437-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2013-07-24 EP disclosed
WO-2012035011-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2012-03-22 WO disclosed