SCHEMBL6950040

SCHEMBL6950040

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.53
SLC16A3 O15427 3/20 0.50
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
ELANE P08246 3/20 0.42
PRTN3 P24158 2/20 0.42
MET P08581 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42

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
SCHEMBL6950029 1.00 SNCA (0.53) SNCASLC16A3CYP2C9CYP2C19ELANE
SCHEMBL16943645 0.87 SNCA (0.50) SNCASLC16A3CYP2C9CYP2C19ELANE
SCHEMBL4292551 0.84 SNCA (0.76) SNCASLC16A3METTUBB4ATUBB
SCHEMBL5173597 0.84 SNCA (0.76) SNCASLC16A3METTUBB4ATUBB
SCHEMBL6945582 0.84 SNCA (0.54) SNCASLC16A3CYP2C9CYP2C19ELANE
SCHEMBL6945586 0.84 SNCA (0.54) SNCASLC16A3CYP2C9CYP2C19ELANE
SCHEMBL6953396 0.82 SNCA (0.58) SNCASLC16A3METMAPTMEN1
SCHEMBL6953401 0.82 SNCA (0.58) SNCASLC16A3METMAPTMEN1
SCHEMBL6949385 0.80 SNCA (0.54) SNCASLC16A3CYP2C9CYP2C19ELANE
SCHEMBL6949379 0.80 SNCA (0.54) SNCASLC16A3CYP2C9CYP2C19ELANE

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