SCHEMBL1275434

SCHEMBL1275434

Nc1c(Br)cc([S+]([O-])CC(F)(F)F)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
GSK3B P49841 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA9 Q16790 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
SCHEMBL998455 0.75 GAA (0.41) GAAMAPTGSK3BCA1CA2
SCHEMBL1275433 0.73 GAA (0.35) GAAMAPTCA1CA2CA3
SCHEMBL697116 0.72 GAA (0.38) GAAMAPTCA1CA2CA3
SCHEMBL699135 0.72 GAA (0.38) GAAMAPTCA1CA2CA3
SCHEMBL29569502 0.69 TSHR (0.41) MAPTCA1CA2CA9
SCHEMBL698270 0.69 GAA (0.35) GAAMAPTCA1CA2CA3
SCHEMBL697755 0.68 GAA (0.34) GAAMAPTCA1CA2
SCHEMBL777358 0.66 ALDH1A1 (0.33)
SCHEMBL29568792 0.64 CYP3A4 (0.39)
SCHEMBL776495 0.64 IDO1 (0.30)

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-2464624-A2 PESTICIDAL CARBOXAMIDES Bayer CropScience AG (DE) 2012-06-20 EP disclosed
WO-2011018170-A2 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2011-02-17 WO disclosed