SCHEMBL6949832

SCHEMBL6949832

O=S(=O)(Nc1ccccc1C=Cc1ccncc1)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 1/20 0.51
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
SLC16A3 O15427 1/20 0.48
GLO1 Q04760 1/20 0.48
SLC22A12 Q96S37 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
USP2 O75604 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6949826 1.00 SNCA (0.54) SNCAMEN1KMT2ATSHRKEAP1
SCHEMBL6945582 0.87 SNCA (0.54) SNCAMEN1KMT2ASLC16A3CYP2C9
SCHEMBL6951822 0.87 SNCA (0.54) SNCAMEN1KMT2ASLC16A3CYP2C9
SCHEMBL6951910 0.87 CYP2C9 (0.63) SNCAKMT2ATSHRKEAP1NFE2L2
SCHEMBL6951814 0.87 SNCA (0.54) SNCAMEN1KMT2ASLC16A3CYP2C9
SCHEMBL6945586 0.87 SNCA (0.54) SNCAMEN1KMT2ASLC16A3CYP2C9
SCHEMBL6951904 0.87 CYP2C9 (0.63) SNCAKMT2ATSHRKEAP1NFE2L2
SCHEMBL5175631 0.84 SNCA (0.78) SNCAMEN1KMT2AKEAP1NFE2L2
SCHEMBL6947791 0.84 KMT2A (0.56) SNCAMEN1KMT2ATSHRSLC16A3
SCHEMBL6953249 0.84 MAPT (0.56) SNCAMEN1KMT2ASLC16A3TDP1

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