SCHEMBL2467625

SCHEMBL2467625

Nc1cc(-c2cccc(Cl)c2)nc(OC(=O)O)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.45
CNR2 P34972 1/20 0.42
ADORA1 P30542 1/20 0.42
ATR Q13535 1/20 0.42
IKBKB O14920 1/20 0.40
VCP P55072 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABL1 P00519 1/20 0.39
CTRC Q99895 1/20 0.39
LTB4R Q15722 1/20 0.39

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
SCHEMBL2470000 0.90 ACHE (0.45) ADORA1L3MBTL1CTRC
SCHEMBL2466457 0.87 XDH (0.44) KMOADORA1ATRVCPNPC1
SCHEMBL2468160 0.86 CTRC (0.46) KMOADORA1CTRC
SCHEMBL2465809 0.84 XDH (0.47) KMOADORA1
SCHEMBL2462741 0.83 CYP1A1 (0.50) ADORA1NPC1RAB9ACTRC
SCHEMBL2465141 0.83 KMO (0.48) KMONPC1RAB9AABL1
SCHEMBL2466332 0.82 MAPT (0.44)
SCHEMBL2469327 0.82 KMO (0.47) KMOCNR2ADORA1ABL1
SCHEMBL2466883 0.81 DHODH (0.44) ADORA1
SCHEMBL2466248 0.81 MAPT (0.44) L3MBTL1CTRC

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