SCHEMBL14844503

SCHEMBL14844503

Cn1ncc(-c2ccc(C(F)(F)F)cc2S(C)(=O)=O)c(OC(=O)Oc2c(-c3ccc(C(F)(F)F)cc3S(C)(=O)=O)cnn(C)c2=O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.41
FEN1 P39748 3/20 0.41
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ABCB11 O95342 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
SCN9A Q15858 1/20 0.34
NTRK1 P04629 2/20 0.33
DDR1 Q08345 1/20 0.33
ELANE P08246 1/20 0.33
PTGS2 P35354 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
CACNA1B Q00975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL27962367 0.95 ALOX5AP (0.39) ALOX5APFEN1ALDH1A1HPGDABCB11
SCHEMBL14844552 0.93 ALOX5AP (0.40) ALOX5APFEN1ALDH1A1HPGDABCB11
SCHEMBL14844504 0.93 ALOX5AP (0.40) ALOX5APFEN1ALDH1A1HPGDABCB11
SCHEMBL14844339 0.88 ALOX5AP (0.43) ALOX5APFEN1ALDH1A1HPGDSCN9A
SCHEMBL17510160 0.87 ALOX5AP (0.37) ALOX5APFEN1ALDH1A1HPGDABCB11
SCHEMBL23155073 0.85 ALOX5AP (0.36) ALOX5APFEN1ALDH1A1HPGDABCB11
SCHEMBL29968111 0.85 ALOX5AP (0.36) ALOX5APFEN1ALDH1A1HPGDABCB11
SCHEMBL14844537 0.83 ALOX5AP (0.44) ALOX5APFEN1ALDH1A1SCN9ADDR1
SCHEMBL29464818 0.83 ALOX5AP (0.44) ALOX5APFEN1ALDH1A1SCN9ADDR1
SCHEMBL14844547 0.82 ALOX5AP (0.38) ALOX5APFEN1ALDH1A1HPGDSCN9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763968-B1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LTD (GB) 2016-02-24 EP disclosed
EP-2763968-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES Syngenta Limited (GB) 2014-08-13 EP disclosed
WO-2013050421-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2013-04-11 WO disclosed