SCHEMBL4950817

SCHEMBL4950817

CC(C)S(=O)(=O)Nc1ccsc1-c1ccc(-c2cccc(S(N)(=O)=O)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 4/20 0.42
CA2 P00918 6/20 0.41
CA9 Q16790 6/20 0.41
CA12 O43570 5/20 0.41
ACLY P53396 1/20 0.41
CA1 P00915 5/20 0.41
KDM1A O60341 1/20 0.41
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
SDCBP O00560 1/20 0.39
SDC2 P34741 1/20 0.39
TBXA2R P21731 1/20 0.38
PTGER1 P34995 1/20 0.38
TTK P33981 2/20 0.37
CA13 Q8N1Q1 1/20 0.37
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL4953176 0.88 PTGS2 (0.50) CA2CA9CA12ACLYCA1
SCHEMBL4953413 0.84 PTGS2 (0.48) CA2CA9ACLYKDM1APTGS2
SCHEMBL4946259 0.81 ACLY (0.45) ACLY
SCHEMBL4950128 0.79 GRIA2 (0.52) KDM1A
SCHEMBL4951076 0.76 PTGS2 (0.36) ACLYPTGS2
SCHEMBL14124478 0.75 GRIA4 (0.48) ACLYPTGS1PTGS2
SCHEMBL5141157 0.74 PTGS2 (0.37) CA2CA9ACLYKDM1APTGS1
SCHEMBL4953693 0.74 GRIA4 (0.49) CA2CA9CA12ACLYCA1
SCHEMBL4951303 0.74 GRIA2 (0.49) CA2CA9CA12ACLYCA1
SCHEMBL4948474 0.73 RORC (0.39) CA2

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