SCHEMBL798893

SCHEMBL798893

O=C(NCc1ccc(N2CCC(c3cc(Cl)cc(Cl)c3F)(S(=O)(=O)C(F)(F)F)C2)cc1C(F)(F)F)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.40
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NOTUM Q6P988 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL794431 0.86 EPHX2 (0.42) EPHX2NOTUMAR
SCHEMBL794714 0.80 EPHX2 (0.42) EPHX2AR
SCHEMBL807896 0.80 EPHX2 (0.42) EPHX2AR
SCHEMBL15465905 0.78 EPHX2 (0.42) EPHX2NOTUMAR
SCHEMBL798235 0.77 EPHX2 (0.45) EPHX2NOTUMAR
SCHEMBL797804 0.74 EPHX2 (0.44) EPHX2NOTUMAR
SCHEMBL17874616 0.72 EPHX2 (0.42) EPHX2CYP2D6PKMCYP2C19AR
SCHEMBL17874615 0.72 EPHX2 (0.45) EPHX2AR
SCHEMBL17874614 0.71 DDR1 (0.38) EPHX2
SCHEMBL15467187 0.71 EPHX2 (0.45) EPHX2AR

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