SCHEMBL2465841

SCHEMBL2465841

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.34
MAP4K1 Q92918 1/20 0.31
CFTR P13569 2/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
PDCD1LG2 Q9BQ51 2/20 0.30
CD274 Q9NZQ7 2/20 0.30
ALPL P05186 1/20 0.30

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
SCHEMBL17797249 0.89 RIPK1 (0.32) RIPK1
SCHEMBL2464045 0.89 ALPL (0.36) RIPK1SCN10APDCD1LG2CD274ALPL
SCHEMBL2468807 0.85 MEP1B (0.36) SCN10APDCD1LG2CD274ALPL
SCHEMBL2464689 0.85 PDCD1LG2 (0.32) CFTRSCN10APDCD1LG2CD274ALPL
SCHEMBL3328874 0.85 KDM4E (0.37) RIPK1MAP4K1CFTRALPL
SCHEMBL2467061 0.84 SCN10A (0.33) SCN10APDCD1LG2CD274ALPL
SCHEMBL3455346 0.84 PDCD1LG2 (0.32) CFTRSCN10APDCD1LG2CD274ALPL
SCHEMBL2464652 0.82 SCN10A (0.32) SCN10APDCD1LG2CD274ALPL
SCHEMBL2468350 0.82 SCN10A (0.32) SCN10APDCD1LG2CD274ALPL
SCHEMBL2464743 0.82 SCN10A (0.34) SCN10APDCD1LG2CD274ALPL

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