SCHEMBL12177963

SCHEMBL12177963

Nc1ccc(Nc2ccccc2)c2c(S(=O)(=O)O)cccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 2/20 0.75
▸ CHAT P28329 1/20 0.75
▸ TTR P02766 2/20 0.63
▸ FABP4 P15090 1/20 0.63
▸ CCNA2 P20248 1/20 0.63
▸ CDK2 P24941 1/20 0.63
▸ MAPK14 Q16539 1/20 0.63
▸ NR4A1 P22736 1/20 0.62
▸ GAA P10253 6/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ KDM4E B2RXH2 5/20 0.56
▸ MAPT P10636 5/20 0.56
▸ POLB P06746 3/20 0.56
▸ RECQL P46063 3/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ CASP6 P55212 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ NSD2 O96028 1/20 0.56
▸ APEX1 P27695 1/20 0.56
▸ APOBEC3A P31941 1/20 0.56

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
SCHEMBL12178035 0.88 SNCA (0.77) SNCACHATTTRFABP4CCNA2
SCHEMBL30261938 0.86 SNCA (1.00) SNCACHATTTRFABP4CCNA2
SCHEMBL64271 0.86 SNCA (1.00) SNCACHATTTRFABP4CCNA2
SCHEMBL29382721 0.86 SNCA (1.00) SNCACHATTTRFABP4CCNA2
Potassium SCHEMBL1082234 0.84 SNCA (0.97) SNCACHATTTRFABP4CCNA2
SCHEMBL20574382 0.84 SNCA (0.97) SNCACHATTTRFABP4CCNA2
SCHEMBL11508403 0.83 SNCA (0.75) SNCACHATTTRFABP4CCNA2
SCHEMBL30449729 0.83 SNCA (0.75) SNCACHATTTRFABP4CCNA2
SCHEMBL11481679 0.82 TTR (0.67) SNCACHATTTRFABP4CCNA2
SCHEMBL18324651 0.81 SNCA (0.71) SNCACHATTTRFABP4CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011138183-A1 DYES AND BLENDS FOR SHADING DURING LAUNDRY BASF SE (DE) 2011-11-10 — — WO disclosed
Send feedback