SCHEMBL6949385

SCHEMBL6949385

O=S(=O)(Nc1ccccc1C=Cc1cc[n+]([O-])cc1)c1ccc(OCCF)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.54
SLC16A3 O15427 3/20 0.44
PKM P14618 2/20 0.42
MET P08581 1/20 0.41
CACNA1H O95180 3/20 0.40
CACNA1B Q00975 3/20 0.40
PTGES2 Q9H7Z7 1/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SQSTM1 Q13501 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ELANE P08246 3/20 0.39
PRTN3 P24158 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6949379 1.00 SNCA (0.54) SNCASLC16A3PKMMETCACNA1H
SCHEMBL6953401 0.87 SNCA (0.58) SNCASLC16A3METLMNANPSR1
SCHEMBL6953396 0.87 SNCA (0.58) SNCASLC16A3METLMNANPSR1
SCHEMBL6949576 0.86 SNCA (0.55) SNCASLC16A3PKMCACNA1HCACNA1B
SCHEMBL6949582 0.86 SNCA (0.55) SNCASLC16A3PKMCACNA1HCACNA1B
SCHEMBL5173597 0.84 SNCA (0.76) SNCASLC16A3METLMNASQSTM1
SCHEMBL4292551 0.84 SNCA (0.76) SNCASLC16A3METLMNASQSTM1
SCHEMBL6950040 0.80 SNCA (0.53) SNCASLC16A3METLMNAELANE
SCHEMBL6950029 0.80 SNCA (0.53) SNCASLC16A3METLMNAELANE
SCHEMBL16943645 0.79 SNCA (0.50) SNCASLC16A3METPTGES2LMNA

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