SCHEMBL4949577

SCHEMBL4949577

CC(=O)Nc1ccc(-c2ccc(-c3sccc3NS(=O)(=O)C(C)C)cc2)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
PLA2G7 Q13093 10/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
MAOA P21397 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PGR P06401 1/20 0.35
GRIA2 P42262 1/20 0.35
KDM1A O60341 1/20 0.34

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
SCHEMBL4951215 0.85 PTGS2 (0.42) ALDH1A1PTGS2MEN1NPC1MAPT
SCHEMBL4949007 0.84 GRM5 (0.36)
SCHEMBL4950102 0.83 PTGS1 (0.41) ALDH1A1PTGS2MEN1KMT2ASMN1; SMN2
SCHEMBL4950754 0.83 SCN5A (0.37) ALDH1A1PTGS2MEN1KMT2ASMN1; SMN2
SCHEMBL4952527 0.82 PTGS2 (0.36) PTGS2
SCHEMBL5141284 0.81 SCN9A (0.47)
SCHEMBL4950448 0.81 ALDH1A1 (0.40) ALDH1A1PLA2G7MEN1MAPTKMT2A
SCHEMBL4950128 0.80 GRIA2 (0.52) MEN1KMT2AGRIA2KDM1A
SCHEMBL4952472 0.78 F11 (0.35) PTGS2
SCHEMBL4950017 0.77 EIF4E (0.39) PTGS2SMN1; SMN2GRIA2

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