SCHEMBL8377402

SCHEMBL8377402

Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)[c]c(O)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.61
CASP6 P55212 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 2/20 0.43
NSD2 O96028 2/20 0.40
GAA P10253 1/20 0.40
PLCG1 P19174 1/20 0.40
DNMT1 P26358 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ENPP2 Q13822 2/20 0.37
ING2 Q9H160 1/20 0.36

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
SCHEMBL2213528 0.84 NT5E (0.56) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL7890995 0.83 NT5E (0.42) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL1413164 0.80 NT5E (0.39) NT5EALDH1A1HSD17B10
SCHEMBL5712067 0.79 NT5E (0.78) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL2470360 0.78 NT5E (0.61) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL7065409 0.78 AURKA (0.39) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL27780861 0.77 NT5E (0.75) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL6840785 0.76 NT5E (1.00) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL150291 0.76 NT5E (1.00) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL29415547 0.76 NT5E (1.00) NT5ECASP6ALDH1A1HSD17B10CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2599480-A1 Compounds for the treatment of influenza Universität Innsbruck (AT) 2013-06-05 EP claimed
EP-0864614-A1 Mixtures of azo dyes, azo dyes, process for their preparation and the use thereof Ciba SC Holding AG (CH) 1998-09-16 EP claimed
EP-2599480-A1 Compounds for the treatment of influenza Universität Innsbruck (AT) 2013-06-05 EP disclosed
US-5997587-A Azo dye mixtures, azo dyes, processes for their preparation, and their use CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-12-07 US disclosed
EP-0864614-A1 Mixtures of azo dyes, azo dyes, process for their preparation and the use thereof Ciba SC Holding AG (CH) 1998-09-16 EP disclosed
EP-0864614-A1 Mixtures of azo dyes, azo dyes, process for their preparation and the use thereof Ciba SC Holding AG (CH) 1998-09-16 EP disclosed
US-4118232-A Photographic material containing sulphonic acid group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1978-10-03 US disclosed
US-4104270-A Process for the manufacture of aromatic phosphonates IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-01 US disclosed
US-4051123-A Sulfonic-acid-group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1977-09-27 US disclosed