SCHEMBL4947733

SCHEMBL4947733

CC(C)S(=O)(=O)Nc1cnccc1-c1ccc(-c2ccc(C(=O)O)cc2C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
SLC22A12 Q96S37 7/20 0.39
GRM5 P41594 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
GSK3B P49841 2/20 0.37
MAPT P10636 1/20 0.37
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
GSK3A P49840 1/20 0.36

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
SCHEMBL4950547 0.85 TDP1 (0.47) XDHGRM5ROCK2ROCK1
SCHEMBL4950448 0.84 ALDH1A1 (0.40) SLC22A12GSK3BMAPTGSK3A
SCHEMBL27724211 0.81 CYP17A1 (0.43) GSK3BMAPTROCK2GSK3A
SCHEMBL4949007 0.80 GRM5 (0.36) XDHSCN5ASCN9AGRM5ROCK2
SCHEMBL4950379 0.78 SCN9A (0.37) XDHSCN5ASCN9AGRM5
SCHEMBL4953795 0.77 TDP1 (0.47) XDH
SCHEMBL8164711 0.74 GRIA4 (0.67) SCN5ASCN9AGRM5ROCK2ROCK1
SCHEMBL3828607 0.74 GRIA4 (0.67) SCN5ASCN9AGRM5ROCK2ROCK1
SCHEMBL15507351 0.72 MAP4K4 (0.49) XDHSLC22A12GPR119
SCHEMBL28571512 0.72 XDH (0.48) XDHSLC22A12GRM5

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