SCHEMBL23853754

SCHEMBL23853754

O=[N+]([O-])c1ccc(Nc2ccc(/C=C/c3ccc(Nc4ccc([N+](=O)[O-])cc4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.55
▸ ENPP2 Q13822 1/20 0.49
▸ HPGD P15428 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KIF11 P52732 1/20 0.44
▸ GUCY1B2 O75343 1/20 0.43
▸ GUCY1A2 P33402 1/20 0.43
▸ GUCY1A1 Q02108 1/20 0.43
▸ GUCY1B1 Q02153 1/20 0.43
▸ RAD51 Q06609 1/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ RHOA P61586 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ PTGS2 P35354 2/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ RAD1 O60671 1/20 0.40

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
SCHEMBL14601738 0.85 RAD51 (0.54) NT5EHPGDRAD51CA1CA2
SCHEMBL29356717 0.84 RAD51 (0.56) NT5EENPP2HPGDRAD51KMT2A
SCHEMBL670637 0.84 RAD51 (0.56) NT5EENPP2HPGDRAD51KMT2A
SCHEMBL455775 0.84 RAD51 (0.56) NT5EENPP2HPGDRAD51KMT2A
SCHEMBL455776 0.84 RAD51 (0.56) NT5EENPP2HPGDRAD51KMT2A
SCHEMBL10703629 0.83 NT5E (0.65) NT5EHPGDALOX12L3MBTL1KIF11
SCHEMBL22003965 0.83 RAD51 (0.48) NT5EENPP2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL7744489 0.82 RAD51 (0.55) NT5EENPP2RAD51KMT2AMEN1
SCHEMBL6815530 0.82 RAD51 (0.55) NT5EENPP2RAD51CA1CA2
SCHEMBL8653989 0.82 RAD51 (0.55) NT5EENPP2RAD51KMT2AMEN1

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
EP-3883922-A1 DISULFONATE STILBENES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES Université de Nantes (FR) 2021-09-29 — — EP disclosed
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