SCHEMBL6953401

SCHEMBL6953401

CCOc1ccc(S(=O)(=O)Nc2ccccc2C=Cc2cc[n+]([O-])cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.58
SQSTM1 Q13501 3/20 0.55
KEAP1 Q14145 3/20 0.55
NFE2L2 Q16236 3/20 0.55
LMNA P02545 5/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HTT P42858 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 3/20 0.50
TSHR P16473 1/20 0.48
SLC16A3 O15427 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MET P08581 1/20 0.45
MAPK1 P28482 1/20 0.44
SLC40A1 Q9NP59 1/20 0.44

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
SCHEMBL6953396 1.00 SNCA (0.58) SNCASQSTM1KEAP1NFE2L2LMNA
SCHEMBL5173597 0.88 SNCA (0.76) SNCASQSTM1KEAP1NFE2L2LMNA
SCHEMBL4292551 0.88 SNCA (0.76) SNCASQSTM1KEAP1NFE2L2LMNA
SCHEMBL6949379 0.87 SNCA (0.54) SNCASQSTM1KEAP1NFE2L2LMNA
SCHEMBL6949385 0.87 SNCA (0.54) SNCASQSTM1KEAP1NFE2L2LMNA
SCHEMBL6953822 0.86 SNCA (0.60) SNCASQSTM1KEAP1NFE2L2LMNA
SCHEMBL6953817 0.86 SNCA (0.60) SNCASQSTM1KEAP1NFE2L2LMNA
SCHEMBL6950029 0.82 SNCA (0.53) SNCALMNAHTTGAAKMT2A
SCHEMBL6950040 0.82 SNCA (0.53) SNCALMNAHTTGAAKMT2A
SCHEMBL16943645 0.81 SNCA (0.50) SNCALMNANPSR1HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754682-B9 AMINOSTILBAZOLE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2003-09-17 EP disclosed
EP-0754682-B1 AMINOSTILBAZOLE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2001-10-17 EP disclosed
US-5972976-A FOR TREATMENT OF VARIOUS MALIGNANT TUMORS; (E)-4-(2-(2-(N-acetyl-N-((p-methoxyphenyl)sulfonyl)amino)phenyl)ethenyl)pyridine-1-oxide for example NIPPON SHINYAKU COMPANY, LIMITED 1999-10-26 US disclosed
EP-0754682-A1 AMINOSTILBAZOLE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1997-01-22 EP disclosed