SCHEMBL14844433

SCHEMBL14844433

Cc1ccc(S(=O)(=O)Oc2c(-c3ccc(C(F)(F)F)cc3S(C)(=O)=O)cnn(C)c2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.38
FEN1 P39748 3/20 0.38
SCN9A Q15858 1/20 0.35
PTGS2 P35354 3/20 0.35
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
ELANE P08246 1/20 0.33
PTGS1 P23219 2/20 0.32
FFAR1 O14842 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
CCNA1 P78396 1/20 0.32

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
SCHEMBL14844339 0.84 ALOX5AP (0.43) ALOX5APFEN1SCN9APTGS2NPBWR1
SCHEMBL14844547 0.83 ALOX5AP (0.38) ALOX5APFEN1SCN9APTGS2NPBWR1
SCHEMBL14844503 0.81 ALOX5AP (0.41) ALOX5APFEN1SCN9APTGS2ALDH1A1
SCHEMBL14844504 0.80 ALOX5AP (0.40) ALOX5APFEN1SCN9APTGS2ALDH1A1
SCHEMBL14844552 0.80 ALOX5AP (0.40) ALOX5APFEN1SCN9APTGS2ALDH1A1
SCHEMBL27962367 0.78 ALOX5AP (0.39) ALOX5APFEN1SCN9AALDH1A1HPGD
SCHEMBL29464818 0.77 ALOX5AP (0.44) ALOX5APFEN1SCN9APTGS2ALDH1A1
SCHEMBL14844537 0.77 ALOX5AP (0.44) ALOX5APFEN1SCN9APTGS2ALDH1A1
SCHEMBL17510160 0.76 ALOX5AP (0.37) ALOX5APFEN1ALDH1A1HPGDELANE
SCHEMBL16008164 0.75 ALOX5AP (0.38) ALOX5APFEN1SCN9APTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021060225-A1 PYRIDAZINE COMPOUNDS AND HERBICIDES 日本曹達株式会社 2021-04-01 WO disclosed
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