SCHEMBL18403

SCHEMBL18403

CC1(C#Cc2cc(O)ccc2N2CCN(S(=O)(=O)c3cccs3)CC2)COC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
JAK2 O60674 1/20 0.51
PKM P14618 5/20 0.44
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.43
GALR3 O60755 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BACE1 P56817 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL12089511 0.88 GCK (0.45) MAPTJAK2PKMGAATSHR
SCHEMBL15940 0.87 GCK (0.49)
SCHEMBL12078823 0.87 GCK (0.49)
SCHEMBL18514 0.87 GCK (0.49)
SCHEMBL15941 0.82 GCKR (0.42) MAPTJAK2PKMGAATSHR
SCHEMBL12093408 0.82 MAPT (0.56) MAPTJAK2PKMGAATSHR
SCHEMBL12090247 0.71 GCKR (0.51) MAPTJAK2PKMGAATSHR
SCHEMBL12093407 0.71 GCKR (0.61) MAPTGAATSHR
SCHEMBL12093394 0.71 GCK (0.53) MAPTPKMGAATSHR
SCHEMBL16568 0.70 GCKR (0.65) MAPTJAK2PKM

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-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed