SCHEMBL6953253

SCHEMBL6953253

O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2C=Cc2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SNCA P37840 5/20 0.52
NFKBIA P25963 1/20 0.51
RELA Q04206 1/20 0.51
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLC16A3 O15427 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
HDAC1 Q13547 1/20 0.45
GAA P10253 1/20 0.44
CA1 P00915 1/20 0.43
MMP1 P03956 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
SCHEMBL6953249 1.00 MAPT (0.56) MAPTNPC1RAB9ASNCANFKBIA
SCHEMBL6945586 0.84 SNCA (0.54) MAPTSNCAMEN1KMT2ASLC16A3
SCHEMBL6951822 0.84 SNCA (0.54) SNCAMEN1KMT2ASLC16A3ALDH1A1
SCHEMBL6951814 0.84 SNCA (0.54) SNCAMEN1KMT2ASLC16A3ALDH1A1
SCHEMBL6949826 0.84 SNCA (0.54) SNCAMEN1KMT2ATDP1SLC16A3
SCHEMBL6945582 0.84 SNCA (0.54) MAPTSNCAMEN1KMT2ASLC16A3
SCHEMBL6949832 0.84 SNCA (0.54) SNCAMEN1KMT2ATDP1SLC16A3
SCHEMBL6951910 0.84 CYP2C9 (0.63) MAPTSNCACA2CA12CA9
SCHEMBL6951904 0.84 CYP2C9 (0.63) MAPTSNCACA2CA12CA9
SCHEMBL5175631 0.81 SNCA (0.78) NPC1RAB9ASNCAMEN1KMT2A

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