SCHEMBL2464541

SCHEMBL2464541

COc1cc(-c2nc(OC(=O)O)c(Cl)c(N)c2F)c(F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.35
HSP90AB1 P08238 3/20 0.35
GRK6 P43250 1/20 0.34
MAP2 P11137 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SCN9A Q15858 3/20 0.33
NPC1 O15118 2/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CTSA P10619 3/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL2467701 0.90 LMNA (0.36) HSP90AA1HSP90AB1MAP2LMNATP53
SCHEMBL2464538 0.85 GRK6 (0.38) HSP90AA1HSP90AB1GRK6MAP2LMNA
SCHEMBL3327065 0.82 GAA (0.39) HSP90AA1HSP90AB1LMNATP53NPSR1
SCHEMBL2469998 0.81 HSP90AA1 (0.41) HSP90AA1HSP90AB1GRK6MAP2LMNA
SCHEMBL2471058 0.80 ALDH1A1 (0.37) ALDH1A1KDM4E
SCHEMBL2466316 0.79 GRM2 (0.41) KMT2A
SCHEMBL2469859 0.77 CNR1 (0.43)
SCHEMBL9938760 0.74 CNR1 (0.34) POLBGAAALDH1A1KMT2AHPGD
SCHEMBL28795009 0.74 POLB (0.37) HSP90AA1HSP90AB1GRK6MAP2LMNA
SCHEMBL17797243 0.73 HSP90AA1 (0.34) HSP90AA1HSP90AB1GRK6LMNANPC1

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-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