SCHEMBL3878469

SCHEMBL3878469

COc1ccc(NCCO)cc1NS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
ALDH1A1 P00352 8/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
MAPK1 P28482 3/20 0.47
BRD4 O60885 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
PTPN1 P18031 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
NR3C1 P04150 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KDM1A O60341 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
SCHEMBL5162466 0.85 POLB (0.44) ALDH1A1KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL14561810 0.83 BACE1 (0.54) BACE1ALDH1A1KMT2AMEN1MAPK1
SCHEMBL22333905 0.82 APP (0.43) ALDH1A1KMT2APOLBMAPT
SCHEMBL24048713 0.80 BACE1 (0.52) BACE1ALDH1A1KMT2AMEN1MAPK1
SCHEMBL9125673 0.80 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL23226700 0.79 POLB (0.43) BACE1KMT2AMEN1BRD4SMN1; SMN2
SCHEMBL8348474 0.78 KDM4E (0.51) ALDH1A1KMT2AMEN1MAPK1SMN1; SMN2
Sulfuric Acid SCHEMBL143437 0.77 CA1 (0.48) ALDH1A1KMT2AMEN1MAPK1SMN1; SMN2
Sulfuric Acid SCHEMBL29873108 0.77 CA1 (0.48) ALDH1A1KMT2AMEN1MAPK1SMN1; SMN2
Sulfuric Acid SCHEMBL6573987 0.76 CA1 (0.47) ALDH1A1KMT2AMEN1MAPK1SMN1; SMN2

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-2010482-A1 COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2009-01-07 EP disclosed
WO-2007118817-A1 COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-10-25 WO disclosed
WO-2007118817-A1 COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-10-25 WO disclosed
EP-1847528-A1 Coupling compounds and hair dyeing compositions containing them DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2007-10-24 EP disclosed