SCHEMBL16792140

SCHEMBL16792140

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 3/20 0.64
FNTA P49354 15/20 0.56
FNTB P49356 15/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PRKCZ Q05513 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
SCHEMBL16792215 0.88 GRIA4 (0.61) GRIA4FNTAFNTBKMT2AMAPT
SCHEMBL16798048 0.86 FNTA (0.63) GRIA4FNTAFNTBKMT2AMAPT
SCHEMBL16792008 0.85 GRIA4 (0.58) GRIA4FNTAFNTBKMT2AMAPT
SCHEMBL5756967 0.85 GRIA4 (0.62) GRIA4FNTAFNTBKMT2AMAPT
SCHEMBL16792046 0.84 GRIA4 (0.52) GRIA4FNTAFNTBKMT2AMAPT
SCHEMBL16792247 0.83 GRIA4 (0.67) GRIA4FNTAFNTBKMT2A
SCHEMBL16798063 0.82 GRIA4 (0.55) GRIA4FNTAFNTBKMT2AMAPT
SCHEMBL16792138 0.81 FNTA (0.82) GRIA4FNTAFNTBKMT2A
SCHEMBL10652875 0.81 GRIA4 (0.74) GRIA4FNTAFNTBKMT2A
SCHEMBL6603961 0.80 GRIA4 (0.62) GRIA4FNTAFNTBKMT2A

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