SCHEMBL23853937

SCHEMBL23853937

Cc1ccc(S(=O)(=O)Nc2ccc(/C=C/c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD51 Q06609 2/20 0.76
▸ ENPP2 Q13822 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ LMNA P02545 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ HTT P42858 3/20 0.52
▸ MAPT P10636 3/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ USP2 O75604 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ HDAC4 P56524 3/20 0.50
▸ HDAC1 Q13547 3/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ PTPRC P08575 1/20 0.49
▸ CA12 O43570 1/20 0.49

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
SCHEMBL31389363 0.86 RAD51 (1.00) RAD51ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL23852173 0.86 RAD51 (0.72) RAD51ENPP2ALDH1A1LMNASMN1; SMN2
SCHEMBL14601737 0.84 RAD51 (0.66) RAD51ENPP2ALDH1A1HTTMAPT
SCHEMBL14601738 0.83 RAD51 (0.54) RAD51ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL14601743 0.80 ALDH1A1 (0.58) RAD51ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL7554899 0.79 FFAR4 (0.58) RAD51ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL14601742 0.78 PKM (0.58) RAD51ALDH1A1LMNAMAPTKMT2A
SCHEMBL8613403 0.78 ENPP2 (0.59) RAD51ENPP2ALDH1A1LMNAHTT
SCHEMBL11026205 0.77 CA12 (0.68) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL12109985 0.77 RAD1 (0.51) RAD51ENPP2ALDH1A1MAPTMEN1

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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