SCHEMBL2465809

SCHEMBL2465809

Nc1cc(-c2cccc(C(F)(F)F)c2)nc(OC(=O)O)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.47
KMO O15229 2/20 0.46
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
CTSK P43235 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM1A O60341 1/20 0.41
RORB Q92753 4/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RORC P51449 2/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CFTR P13569 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3453611 0.88 CASP1 (0.45) ALDH1A1KDM4EMAPTACHE
SCHEMBL2470000 0.85 ACHE (0.45) XDHALDH1A1KDM4EMEN1KMT2A
SCHEMBL2467625 0.84 KMO (0.45) KMOADORA1
SCHEMBL2466457 0.82 XDH (0.44) XDHKMOALDH1A1KDM4EMAPT
SCHEMBL2465807 0.82 KMO (0.52) XDHKMOPIK3CDPIK3CAPIK3CG
SCHEMBL2466891 0.81 NPSR1 (0.42) ALDH1A1KDM4ENPSR1CFTR
SCHEMBL2464556 0.81 ACHE (0.42) KMOCTSKALDH1A1KDM4ERORB
SCHEMBL2466883 0.79 DHODH (0.44) KDM4EMAPTADORA2AADORA1ACHE
SCHEMBL2468415 0.79 DHODH (0.51) MAPT
SCHEMBL2468160 0.79 CTRC (0.46) KMOALDH1A1KDM4EMEN1KMT2A

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-2939540-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939541-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