SCHEMBL31229304

SCHEMBL31229304

Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12.Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 3/20 0.68
▸ ALDH1A1 P00352 5/20 0.56
▸ CASP6 P55212 3/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ SUMO2 P61956 1/20 0.51
▸ SUMO1 P63165 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP2 Q9HC62 1/20 0.51
▸ CYP1A2 P05177 2/20 0.49
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ ENPP2 Q13822 3/20 0.43
▸ NSD2 O96028 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ PLCG1 P19174 1/20 0.42
▸ DNMT1 P26358 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL29610078 1.00 NT5E (0.68) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL152377 1.00 NT5E (0.68) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL30566330 1.00 NT5E (0.68) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL591403 1.00 NT5E (0.68) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL29429619 1.00 NT5E (0.68) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL11426413 1.00 NT5E (0.68) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL2730688 1.00 NT5E (0.68) NT5EALDH1A1CASP6HSD17B10CYP2C9
Hydrochloric Acid SCHEMBL8219485 0.98 NT5E (0.66) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL2730683 0.98 NT5E (0.66) NT5EALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL11426409 0.98 NT5E (0.66) NT5EALDH1A1CASP6HSD17B10CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113383003-B Method, kit and device for preparing sugar chain from glycoprotein 国立研究开发法人产业技术综合研究所 2024-11-08 — — CN disclosed
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