SCHEMBL4957941

SCHEMBL4957941

CC(C)S(=O)(=O)Nc1ccsc1-c1ccc(-c2ccc(SCC(=O)O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 3/20 0.36
BCL2A1 Q16548 4/20 0.35
MCL1 Q07820 3/20 0.35
CTSB P07858 1/20 0.35
ELANE P08246 1/20 0.35
DUSP3 P51452 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GRIA4 P48058 1/20 0.34
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
BCL2L2 Q92843 1/20 0.33
PKM P14618 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4951358 0.82 ABCC4 (0.41) GAAFFAR1ALDH1A1GRIA4
SCHEMBL4953693 0.81 GRIA4 (0.49) GRIA4
SCHEMBL4951060 0.81 NPSR1 (0.44) FFAR1ALDH1A1NPSR1
SCHEMBL4953413 0.80 PTGS2 (0.48) GRIA4
SCHEMBL4945705 0.80 SMN1; SMN2 (0.45) GAAFFAR1ALDH1A1CYP1A2CYP2C19
SCHEMBL4949928 0.80 ALDH1A1 (0.41) GAAALDH1A1CYP1A2CYP2C19
SCHEMBL4948474 0.77 RORC (0.39) CYP1A2
SCHEMBL4946259 0.75 ACLY (0.45) GAAGRIA4NPC1RAB9A
SCHEMBL4949814 0.75 HPGD (0.45) GAAALDH1A1CYP1A2GRIA4NPC1
SCHEMBL4951076 0.75 PTGS2 (0.36) GRIA4

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
EP-1893597-B1 AMPA RECEPTOR POTENTIATORS LILLY CO ELI (US) 2008-11-12 EP disclosed