SCHEMBL2467684

SCHEMBL2467684

CNc1c(Cl)ccc(-c2cc(N)c(Cl)c(OC(=O)O)n2)c1F

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.32
SCN1A P35498 1/20 0.31
KCNH2 Q12809 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
NUDT1 P36639 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
ALPL P05186 1/20 0.30
PRKD3 O94806 1/20 0.30
MAPK1 P28482 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 1/20 0.30
PRKD2 Q9BZL6 1/20 0.30
NQO2 P16083 1/20 0.30

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
SCHEMBL2468350 0.90 SCN10A (0.32) SCN10ASCN1AKCNH2SCN5ASCN9A
SCHEMBL2469850 0.85 PPARA (0.33) FFAR4
SCHEMBL2467541 0.85 ALDH1A1 (0.37) SCN10AFFAR4
SCHEMBL2467680 0.83 SCN10A (0.33) SCN10ASCN1AKCNH2SCN5ASCN9A
SCHEMBL2465186 0.83 MAP4K1 (0.32) FFAR4PRKD3MAPK1MAPK8MAPK9
SCHEMBL17797200 0.83 KDM4E (0.32) SCN10AMAPK8MAPK9MAPK10
SCHEMBL2464685 0.83
SCHEMBL2467629 0.83 FFAR4 (0.35) FFAR4
SCHEMBL2463884 0.82 ALOX5AP (0.38) FFAR4PRKD3MAPK1MAPK8MAPK9
SCHEMBL2469711 0.82 CYP3A4 (0.34) FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2060566-B1 Poly-substituted aryls DOW AGROSCIENCES LLC (US) 2016-06-08 EP claimed
EP-2939541-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939540-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2369929-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP disclosed
WO-2010060581-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO disclosed
EP-2191719-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-06-02 EP disclosed