SCHEMBL13498712

SCHEMBL13498712

COOOSc1cccc2c(-c3ccc(Nc4ccccc4)c4c(S(=O)(=O)O)cccc34)ccc(Nc3ccccc3)c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 2/20 0.68
▸ CHAT P28329 1/20 0.68
▸ TTR P02766 1/20 0.47
▸ FABP4 P15090 1/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47
▸ NR4A1 P22736 1/20 0.46
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ THRB P10828 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ POLB P06746 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ GAA P10253 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ RECQL P46063 2/20 0.40
▸ CASP6 P55212 2/20 0.40
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL29382721 0.82 SNCA (1.00) SNCACHATTTRFABP4CCNA2
SCHEMBL30261938 0.82 SNCA (1.00) SNCACHATTTRFABP4CCNA2
SCHEMBL64271 0.82 SNCA (1.00) SNCACHATTTRFABP4CCNA2
Potassium SCHEMBL1082234 0.81 SNCA (0.97) SNCACHATTTRFABP4CCNA2
SCHEMBL20574382 0.81 SNCA (0.97) SNCACHATTTRFABP4CCNA2
Pyrophosphoric Acid SCHEMBL31296093 0.76 SNCA (0.81) SNCACHATTTRFABP4CCNA2
SCHEMBL11508403 0.71 SNCA (0.75) SNCACHATTTRFABP4CCNA2
SCHEMBL30449729 0.71 SNCA (0.75) SNCACHATTTRFABP4CCNA2
SCHEMBL12177963 0.71 SNCA (0.75) SNCACHATTTRFABP4CCNA2
Potassium Ion SCHEMBL1082232 0.69 SNCA (0.72) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404805-B2 Characterization of GRP94-ligand interactions and purification, screening, and therapeutic methods relating thereto DUKE UNIVERSITY (US) 2013-03-26 — — US disclosed
US-20100028905-A1 CHARACTERIZATION OF GRP94-LIGAND INTERACTIONS AND PURIFICATION, SCREENING, AND THERAPEUTIC METHODS RELATING THERETO DUKE UNIVERSITY (US) 2010-02-04 — — US disclosed
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