SCHEMBL5141284

SCHEMBL5141284

CC(C)S(=O)(=O)Nc1ccsc1-c1ccc(-c2ccc(C(=O)NS(C)(=O)=O)cc2C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.47
SCN5A Q14524 5/20 0.47
GRM5 P41594 1/20 0.36
MAP4K4 O95819 1/20 0.35
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35

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
SCHEMBL4950754 0.91 SCN5A (0.37) SCN9ASCN5AGRM5ROCK2ROCK1
SCHEMBL4949007 0.89 GRM5 (0.36) SCN9ASCN5AGRM5ROCK2ROCK1
SCHEMBL4950102 0.88 PTGS1 (0.41) SCN9ASCN5AGRM5MAP4K4ROCK2
SCHEMBL4947779 0.82 SCN9A (0.47) SCN9ASCN5AGRM5MAP4K4
SCHEMBL4947778 0.82 SCN9A (0.47) SCN9ASCN5AGRM5MAP4K4
SCHEMBL4949577 0.81 ALDH1A1 (0.42)
SCHEMBL4952472 0.81 F11 (0.35) SCN9AMAP4K4
SCHEMBL4952527 0.80 PTGS2 (0.36) SCN9A
SCHEMBL4953059 0.78 PTGS1 (0.37)
SCHEMBL4950027 0.76 TDP1 (0.39)

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
EP-1893597-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2008-03-05 EP disclosed
WO-2006132811-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2006-12-14 WO disclosed