SCHEMBL2465267

SCHEMBL2465267

Nc1cc(-c2ccc(Cl)nc2)nc(OC(=O)O)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.43
NAPRT Q6XQN6 1/20 0.36
SCN9A Q15858 2/20 0.35
KDM4E B2RXH2 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
ERN1 O75460 1/20 0.34
PIK3CA P42336 1/20 0.33
CTRC Q99895 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
MAPK1 P28482 1/20 0.33
MAP4K4 O95819 2/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
ATR Q13535 1/20 0.32
EPRS1 P07814 1/20 0.32

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
SCHEMBL2468160 0.86 CTRC (0.46) KDM4ECTRC
SCHEMBL2469487 0.85 MKNK1 (0.44) PIK3CDPIK3CAATR
SCHEMBL2470000 0.85 ACHE (0.45) KDM4EHSP90AA1HSP90AB1CTRC
SCHEMBL2466883 0.84 DHODH (0.44) SCN9AKDM4E
SCHEMBL2466248 0.84 MAPT (0.44) KDM4ECTRC
SCHEMBL2465141 0.83 KMO (0.48) KDM4E
SCHEMBL2466332 0.82 MAPT (0.44) MAPK1
SCHEMBL2468817 0.82 DHODH (0.45) SCN9ACTRC
SCHEMBL2466898 0.82 ATR (0.38) CTRCMAPK1MAP4K4ATREPRS1
SCHEMBL2467821 0.82 KDM4E (0.48) KDM4E

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