SCHEMBL999237

SCHEMBL999237

O=C(Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1S(=O)(=O)C(F)(F)F)c1ccc2ccc[n+]([O-])c2c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNJ11 Q14654 11/20 0.34
▸ ENPP1 P22413 2/20 0.33
▸ ENPP3 O14638 1/20 0.33
▸ PTGFR P43088 1/20 0.31
▸ ABCC9 O60706 4/20 0.31
▸ ABCC8 Q09428 4/20 0.31
▸ KCNJ8 Q15842 4/20 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
SCHEMBL13516421 0.96 KCNJ11 (0.33) KCNJ11ENPP1ENPP3ABCC9ABCC8
SCHEMBL13516032 0.96 KCNJ11 (0.33) KCNJ11ENPP1ENPP3
SCHEMBL13516001 0.90 KCNJ11 (0.33) KCNJ11ENPP1ENPP3ABCC9ABCC8
SCHEMBL13516024 0.89 KCNJ11 (0.33) KCNJ11ENPP1ENPP3ABCC9ABCC8
SCHEMBL13515939 0.89 KCNJ11 (0.38) KCNJ11ENPP1ENPP3ABCC9ABCC8
SCHEMBL13516091 0.87 KCNJ11 (0.36) KCNJ11ENPP1ENPP3ABCC9ABCC8
SCHEMBL13516490 0.87 KCNJ11 (0.32) KCNJ11ENPP1ENPP3ABCC9ABCC8
SCHEMBL13516066 0.86 KCNJ11 (0.32) KCNJ11ENPP1ENPP3ABCC9ABCC8
SCHEMBL13516096 0.85 KCNJ11 (0.32) KCNJ11ENPP1ENPP3
SCHEMBL13516382 0.85 KCNJ11 (0.36) KCNJ11ENPP1ENPP3ABCC9ABCC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456759-B1 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2017-04-19 — — EP disclosed
EP-2456759-A2 PESTICIDAL CARBOXAMIDES Bayer CropScience AG (DE) 2012-05-30 — — EP disclosed
WO-2011009540-A2 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2011-01-27 — — WO disclosed
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