SCHEMBL8587196

SCHEMBL8587196

CCCNS(=O)(=O)CCc1ccc(-c2ccsc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.44
MMP8 P22894 2/20 0.44
MMP12 P39900 2/20 0.44
MMP13 P45452 2/20 0.44
CNR1 P21554 1/20 0.42
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
APLNR P35414 1/20 0.38
KCNH2 Q12809 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
NPY5R Q15761 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GRIA2 P42262 2/20 0.36
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 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
SCHEMBL16104509 0.76 CYP17A1 (0.53) GRIA4CYP17A1CYP11B1CYP11B2KCNH2
SCHEMBL3532040 0.75 CA2 (0.56) MMP8MMP12MMP13MEN1KMT2A
SCHEMBL8907383 0.75 MEN1 (0.60) MMP8MMP12MMP13MEN1KMT2A
SCHEMBL5878462 0.74 GRIA4 (0.64) GRIA4CNR1CYP17A1CYP11B1CYP11B2
SCHEMBL8587459 0.73 GRIA4 (0.44) GRIA4CNR1CYP17A1CYP11B1CYP11B2
SCHEMBL28244556 0.73 RARB (0.50) CYP17A1CYP11B1CYP11B2HRH3KDM4E
SCHEMBL8586492 0.73 F10 (0.41) GRIA4MMP8MMP12MMP13MEN1
SCHEMBL5877861 0.72 GRIA4 (0.45) GRIA4CNR1CYP17A1CYP11B1CYP11B2
SCHEMBL5877345 0.72 GRIA4 (0.61) GRIA4CNR1CYP17A1CYP11B1CYP11B2
SCHEMBL8587579 0.72 ESR1 (0.44) GRIA4GSK3BGRIA2MEN1KMT2A

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
WO-1998033496-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-08-06 WO disclosed