SCHEMBL16792008

SCHEMBL16792008

CCCSc1sc(C(=O)COC)c(-c2ccc(Cl)cc2)c1C#N

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.58
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
FNTA P49354 17/20 0.51
FNTB P49356 17/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL16792215 0.88 GRIA4 (0.61) GRIA4MAPTNPSR1L3MBTL1FNTA
SCHEMBL16792140 0.85 GRIA4 (0.64) GRIA4MAPTNPSR1L3MBTL1FNTA
SCHEMBL16792007 0.85 FNTA (0.72) GRIA4FNTAFNTBKMT2A
SCHEMBL16798048 0.83 FNTA (0.63) GRIA4MAPTNPSR1L3MBTL1FNTA
SCHEMBL16792247 0.79 GRIA4 (0.67) GRIA4FNTAFNTBKMT2A
SCHEMBL16798063 0.78 GRIA4 (0.55) GRIA4MAPTNPSR1L3MBTL1FNTA
SCHEMBL16792046 0.77 GRIA4 (0.52) GRIA4MAPTNPSR1L3MBTL1FNTA
SCHEMBL10652875 0.77 GRIA4 (0.74) GRIA4FNTAFNTBKMT2A
SCHEMBL3137586 0.73 GRIA4 (1.00) GRIA4MAPTNPSR1L3MBTL1FNTA
SCHEMBL10652865 0.73 GRIA4 (0.60) GRIA4MAPTNPSR1L3MBTL1FNTA

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
WO-2015089349-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS TABACZYNSKI DAVID A (US) 2015-06-18 WO disclosed
WO-2015084721-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS TABACZYNSKI DAVID A (US) 2015-06-11 WO disclosed