SCHEMBL8586352

SCHEMBL8586352

CCCNS(=O)(=O)C(C)(C)c1ccc(-c2ccccc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
SCN9A Q15858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRIA4 P48058 2/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL8587032 0.85 GRIA4 (0.48) GRIA4ALDH1A1NPC1RAB9A
SCHEMBL8583394 0.85 ALDH1A1 (0.38) CA12CA9CA1CA2SMN1; SMN2
SCHEMBL7570581 0.84 CA12 (0.43) CA12CA9CA1CA2SMN1; SMN2
SCHEMBL8583981 0.84 LTB4R2 (0.38) CA12CA9GRIA4KDM4EALDH1A1
SCHEMBL8584767 0.83 XDH (0.36) CA12CA9SMN1; SMN2GRIA4KDM4E
SCHEMBL8585276 0.81 ALDH1A1 (0.40) CA12CA9CA1CA2GRIA4
SCHEMBL9229027 0.81 CA12 (0.47) CA12CA9CA1CA2ALDH1A1
SCHEMBL8584956 0.78 EPHX2 (0.38) CA12CA9CA1CA2KCNH2
SCHEMBL8587469 0.77 KIF11 (0.51) CA1CA2
SCHEMBL8585567 0.77 L3MBTL1 (0.43) CA12CA9CA1CA2SMN1; SMN2

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