SCHEMBL23853327

SCHEMBL23853327

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)Oc3ccccc3)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.56
▸ RAD51 Q06609 3/20 0.56
▸ ALDH1A1 P00352 7/20 0.51
▸ MAPT P10636 4/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ CYP1A2 P05177 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ BRD4 O60885 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL31389377 0.87 RAD51 (0.70) RAD51ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL9321875 0.87 ALDH1A1 (0.50) ENPP2RAD51ALDH1A1MAPTKDM4E
SCHEMBL14437899 0.81 ENPP2 (0.74) ENPP2ALDH1A1MAPTPOLBKMT2A
SCHEMBL9321648 0.81 ENPP2 (0.74) ENPP2ALDH1A1MAPTPOLBKMT2A
SCHEMBL5694390 0.80 ENPP2 (0.60) ENPP2RAD51MAPTKMT2AMEN1
SCHEMBL17255098 0.80 ENPP2 (0.72) ENPP2ALDH1A1MAPTPOLBKMT2A
SCHEMBL29366447 0.80 ENPP2 (0.60) ENPP2RAD51MAPTKMT2AMEN1
SCHEMBL15282738 0.80 ENPP2 (0.72) ENPP2ALDH1A1MAPTPOLBKMT2A
SCHEMBL5694392 0.80 ENPP2 (0.60) ENPP2RAD51MAPTKMT2AMEN1
SCHEMBL26977995 0.80 ENPP2 (0.72) ENPP2ALDH1A1MAPTPOLBKMT2A

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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