SCHEMBL8115442

SCHEMBL8115442

O=[N+]([O-])c1ccc2c(c1)SCC(=S)N2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 7/20 0.54
ALDH1A1 P00352 1/20 0.51
CHRM1 P11229 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
CAPN9 O14815 1/20 0.43
CASP3 P42574 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL499574 0.83 MAOA (0.57) SNCANOX1NPC1MAPTRAB9A
SCHEMBL29625234 0.76 SNCA (0.84) SNCANOX1NPC1MAPTRAB9A
SCHEMBL1208092 0.76 SNCA (0.84) SNCANOX1NPC1MAPTRAB9A
SCHEMBL10353386 0.74 SNCA (0.52) SNCANOX1NPC1MAPTRAB9A
SCHEMBL8469291 0.73 SNCA (0.51) SNCAALDH1A1NOX1NPC1MAPT
SCHEMBL2125595 0.72 HTT (0.54) SNCAALDH1A1NOX1NPC1MAPT
SCHEMBL7450900 0.71 ALDH1A1 (0.59) ALDH1A1NOX1MAPTCDK1MEN1
SCHEMBL7449747 0.71 ALDH1A1 (0.59) ALDH1A1CHRM1NOX1MAPT
SCHEMBL29214094 0.71 SNCA (0.79) SNCANOX1NPC1MAPTRAB9A
SCHEMBL30867073 0.71 SNCA (0.79) SNCANOX1NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054889-A1 NEW OXAZOLIDINONES WITH AZOL-CONTAINING TRICYCLES Bayer Aktiengesellschaft (DE) 2000-11-29 EP disclosed
WO-1999040094-A1 AGENT FOR SEALING METALLIC GROUND COATS, ESPECIALLY GROUND COATS CONSISTING OF ZINC OR ZINC ALLOYS BAYER AKTIENGESELLSCHAFT (DE) 1999-08-12 WO disclosed