SCHEMBL2467800

SCHEMBL2467800

Nc1c(F)c(OC(=O)O)nc(-c2ccc(C(F)(F)F)cc2)c1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.42
KIF11 P52732 3/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
IKBKB O14920 1/20 0.39
PTPN1 P18031 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
DPP4 P27487 1/20 0.38
DHODH Q02127 2/20 0.37
BACE1 P56817 1/20 0.36
MAP4K4 O95819 1/20 0.36
MYC P01106 1/20 0.35
WDR5 P61964 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35

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
SCHEMBL2465156 0.83 MAPT (0.38) IKBKBDHODH
SCHEMBL2468821 0.82 PLAU (0.41) PLAUKIF11MKNK1MKNK2IKBKB
SCHEMBL2467798 0.81 PLAU (0.50) PLAUKIF11MKNK1MKNK2IKBKB
SCHEMBL2471294 0.75 PLAU (0.47) PLAUKIF11MKNK1MKNK2IKBKB
SCHEMBL2469147 0.74 DHODH (0.38) PTGDR2DHODH
SCHEMBL2465873 0.74 DHODH (0.37) IKBKBPTGDR2DHODH
SCHEMBL2470042 0.74 CTNNB1 (0.46) PLAUDPP4DHODH
SCHEMBL8792566 0.73 DHODH (0.50) PLAUKIF11DHODHBACE1
SCHEMBL14462615 0.73 PLAU (0.45) PLAUKIF11IKBKBPTPN1DHODH
SCHEMBL2466429 0.72 HSP90AB1 (0.36) IKBKBPTGDR2DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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