SCHEMBL1758447

SCHEMBL1758447

Cc1ccc(Nc2ccc3cc(S(=O)(=O)O)ccc3c2)cc1.[KH]

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.97
CASP6 P55212 3/20 0.54
NSD2 O96028 1/20 0.54
DUSP3 P51452 1/20 0.54
PTPN5 P54829 1/20 0.54
CASP7 P55210 1/20 0.54
PTPN11 Q06124 1/20 0.54
L3MBTL1 Q9Y468 4/20 0.49
CYP2C9 P11712 3/20 0.49
CYP1A2 P05177 3/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 3/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
ELAVL1 Q15717 1/20 0.46

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
SCHEMBL29819272 0.98 SNCA (1.00) SNCACASP6NSD2DUSP3PTPN5
SCHEMBL591962 0.98 SNCA (1.00) SNCACASP6NSD2DUSP3PTPN5
SCHEMBL29411849 0.98 SNCA (1.00) SNCACASP6NSD2DUSP3PTPN5
SCHEMBL42176 0.98 SNCA (1.00) SNCACASP6NSD2DUSP3PTPN5
SCHEMBL18425292 0.97 SNCA (0.97) SNCACASP6NSD2DUSP3PTPN5
Potassium SCHEMBL1758452 0.97 SNCA (0.97) SNCACASP6NSD2DUSP3PTPN5
SCHEMBL4349757 0.88 SNCA (0.83) SNCACASP6NSD2DUSP3PTPN5
SCHEMBL2762493 0.84 SNCA (0.75) SNCACASP6NSD2DUSP3PTPN5
SCHEMBL11773321 0.84 SNCA (0.74) SNCACASP6L3MBTL1CYP2C9CYP1A2
SCHEMBL11511934 0.84 CASP6 (0.78) SNCACASP6NSD2DUSP3PTPN5

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-2011056682-A1 REVERSE HEAD GROUP LIPIDS, LIPID PARTICLE COMPOSITIONS COMPRISING REVERSE HEADGROUP LIPIDS, AND METHODS FOR THE DELIVERY OF NUCLEIC ACIDS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-05-12 WO disclosed