SCHEMBL2467740

SCHEMBL2467740

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
CNR1 P21554 4/20 0.32
RARA P10276 2/20 0.32
RARB P10826 2/20 0.32
RARG P13631 1/20 0.32
PTGES O14684 2/20 0.32
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR1 P03372 1/20 0.31
PTGS2 P35354 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MEP1B Q16820 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
SCHEMBL2465727 0.88 MEP1B (0.34) MAPK8MAPK9ALDH1A1MAPTMEP1B
SCHEMBL678172 0.86 MAPT (0.39) SMN1; SMN2CNR1MEN1ALDH1A1HPGD
SCHEMBL2465145 0.85 CNR1 (0.37) SMN1; SMN2FFAR4CNR1MAPK8MAPK9
SCHEMBL2468807 0.83 MEP1B (0.36) ALDH1A1MEP1BPDCD1LG2CD274
SCHEMBL13822293 0.82 MEP1B (0.34) ALDH1A1MEP1BPDCD1LG2CD274
SCHEMBL2467067 0.81 FFAR4 (0.37) FFAR4CNR1MAPK8MAPK9HTT
SCHEMBL2596680 0.80 PDCD1LG2 (0.32) PTGESMAPK8MAPK9MEP1BPDCD1LG2
SCHEMBL2467541 0.80 ALDH1A1 (0.37) FFAR4ALDH1A1MEP1BPDCD1LG2CD274
SCHEMBL678813 0.80 L3MBTL1 (0.44) SMN1; SMN2CNR1ALDH1A1ESR1GAA
SCHEMBL2596708 0.80 ALOX5AP (0.33) ALDH1A1MEP1BPDCD1LG2CD274

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