SCHEMBL23617482

SCHEMBL23617482

CN1CC[C@@H](c2ccc(-c3ccnn3C)s2)NS1(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.36
PIK3CA P42336 2/20 0.32
PIK3R1 P27986 1/20 0.32
COMT P21964 1/20 0.32
ITGB1 P05556 1/20 0.31
ITGA2 P17301 1/20 0.31
PLAT P00750 1/20 0.31
DRD2 P14416 2/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CB P42338 1/20 0.30
PI4KA P42356 1/20 0.30
PIK3CG P48736 1/20 0.30
PI4KB Q9UBF8 1/20 0.30

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
SCHEMBL23617491 0.83 AKT1 (0.38) AKT1PIK3CACOMTDRD2PIK3CD
SCHEMBL23617616 0.81 IDO1 (0.32) DRD2
SCHEMBL23617814 0.79 KDM4E (0.42)
SCHEMBL23617463 0.78 ALDH1A1 (0.38)
SCHEMBL23617592 0.78 CYP2A6 (0.42)
SCHEMBL23617291 0.77 CYP2E1 (0.35)
SCHEMBL23617669 0.77 GRIN1 (0.31) DRD2BACE1
SCHEMBL23617414 0.77 HCAR2 (0.34)
SCHEMBL23617255 0.76 MAPT (0.35)
SCHEMBL23617464 0.76 ALDH1A1 (0.44)

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-3589630-B1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2021-07-07 EP disclosed