SCHEMBL2464045

SCHEMBL2464045

COC(=O)Oc1nc(-c2ccc(Cl)c(C(=O)OC)c2F)cc(N)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.36
NQO2 P16083 2/20 0.35
RIPK1 Q13546 3/20 0.33
KDM4E B2RXH2 3/20 0.33
PKM P14618 1/20 0.33
RCE1 Q9Y256 1/20 0.33
ABL1 P00519 1/20 0.32
TP53 P04637 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
PDCD1LG2 Q9BQ51 2/20 0.31
CD274 Q9NZQ7 2/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 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
SCHEMBL2465841 0.89 RIPK1 (0.34) ALPLRIPK1SCN10APDCD1LG2CD274
SCHEMBL2468807 0.88 MEP1B (0.36) ALPLNQO2KDM4ESCN10APDCD1LG2
SCHEMBL2467061 0.87 SCN10A (0.33) ALPLNQO2KDM4ESCN10AMAPK8
SCHEMBL2470061 0.87 PDCD1LG2 (0.35) ALPLNQO2ABL1SCN10AMAPK8
SCHEMBL2464652 0.85 SCN10A (0.32) ALPLNQO2KDM4ESCN10AMAPK8
SCHEMBL2464743 0.85 SCN10A (0.34) ALPLNQO2KDM4ESCN10AMAPK8
SCHEMBL2468350 0.85 SCN10A (0.32) ALPLNQO2KDM4ESCN10AMAPK8
SCHEMBL3324876 0.84 KDM4E (0.40) ALPLNQO2RIPK1KDM4EPKM
SCHEMBL2470028 0.84 KDM4E (0.33) ALPLNQO2KDM4ESCN10AMAPK8
SCHEMBL2469333 0.84 MAPK9 (0.38) ALPLNQO2KDM4ESCN10AMAPK8

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