SCHEMBL5725873

SCHEMBL5725873

CCCCN(CCCC)c1ccc2c(c1)Sc1cc(N(CCOC)CCOC)ccc1N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 4/20 0.41
NOX1 Q9Y5S8 4/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CRHR1 P34998 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
AR P10275 1/20 0.35
SLC16A3 O15427 2/20 0.34
SLC16A1 P53985 2/20 0.34
CASP3 P42574 1/20 0.33

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
SCHEMBL12812986 0.92 SNCA (0.47) SNCANOX1GAAMEN1LMNA
SCHEMBL11763196 0.90 SNCA (0.41) SNCANOX1GAAMEN1LMNA
SCHEMBL1472458 0.88 SNCA (0.39) SNCANOX1GAAMEN1LMNA
SCHEMBL1472499 0.88 SNCA (0.39) SNCANOX1GAAMEN1LMNA
SCHEMBL15948812 0.86 SNCA (0.35) SNCANOX1GAAMEN1LMNA
SCHEMBL1472475 0.83 SNCA (0.38) SNCANOX1GAAMEN1LMNA
Iodide SCHEMBL3714591 0.83 NOX1 (0.50) SNCANOX1GAAMEN1LMNA
Iodide SCHEMBL3714593 0.83 NOX1 (0.50) SNCANOX1GAAMEN1LMNA
Iodide SCHEMBL3714596 0.83 NOX1 (0.50) SNCANOX1GAAMEN1LMNA
SCHEMBL1470385 0.82 SNCA (0.37) SNCANOX1GAAMEN1LMNA

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-1687286-A1 DEVELOPMENTS IN BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES (2) Photopharmica Limited (GB) 2006-08-09 EP claimed
WO-2005054217-A1 DEVELOPMENTS IN BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES (2) PHOTOPHARMICA LIMITED (GB) 2005-06-16 WO claimed
EP-1687286-A1 DEVELOPMENTS IN BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES (2) Photopharmica Limited (GB) 2006-08-09 EP disclosed
WO-2005054217-A1 DEVELOPMENTS IN BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES (2) PHOTOPHARMICA LIMITED (GB) 2005-06-16 WO disclosed