SCHEMBL3259074

SCHEMBL3259074

CCC(C(=O)O)c1cnc(NS(=O)(=O)c2ccccc2Cl)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
SCN1A P35498 3/20 0.45
SCN5A Q14524 3/20 0.45
SCN8A Q9UQD0 3/20 0.45
HSD11B1 P28845 1/20 0.43
ALDH1A1 P00352 3/20 0.42
AKT1 P31749 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
ITGAV P06756 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL3258919 0.88 GAA (0.41) HTTSCN1ASCN5ASCN8AHSD11B1
SCHEMBL3253952 0.87 MEN1 (0.48) HTTSCN1ASCN5ASCN8AHSD11B1
SCHEMBL3248733 0.87 HSD11B1 (0.51) SCN1ASCN5ASCN8AHSD11B1ITGAV
SCHEMBL3256119 0.86 SCN8A (0.40) HTTSCN1ASCN5ASCN8AHSD11B1
SCHEMBL3255525 0.85 SCN8A (0.44) SCN1ASCN5ASCN8AHSD11B1PIK3CA
SCHEMBL3255395 0.85 KCNA5 (0.46) HTTALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL3258667 0.84 SLC22A12 (0.46) SCN1ASCN5ASCN8AALDH1A1AKT1
SCHEMBL3259023 0.83 L3MBTL1 (0.41) HTTSCN1ASCN5ASCN8AHSD11B1
SCHEMBL3259225 0.83 TDP1 (0.45) SCN1ASCN5ASCN8AHSD11B1CDK1
SCHEMBL3255776 0.82 RAB9A (0.43) SCN1ASCN5ASCN8APIK3CDPIK3CA

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-1461325-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2010-05-26 EP claimed