SCHEMBL2654196

SCHEMBL2654196

O=C(O)CCS(=O)(=O)c1ccc(CC(C(=O)Nc2nccs2)C2CCCC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ GCK P35557 5/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ XBP1 P17861 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ACP1 P24666 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ FFAR2 O15552 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ STAT3 P40763 1/20 0.37

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
SCHEMBL2654774 0.91 GCK (0.42) LMNAALDH1A1GCKKCNH2XBP1
SCHEMBL2656251 0.81 ALDH1A1 (0.41) LMNAALDH1A1GCKKCNH2XBP1
SCHEMBL2653570 0.80 LMNA (0.45) LMNAALDH1A1GCKKCNH2XBP1
SCHEMBL2654194 0.79 GCK (0.63) GCKKCNH2POLBEPHX2FFAR2
SCHEMBL2651594 0.75 GCK (0.48) LMNAALDH1A1GCKKCNH2XBP1
SCHEMBL2652195 0.74 NPC1 (0.54) LMNAALDH1A1XBP1HSD17B10SMN1; SMN2
SCHEMBL2659242 0.74 LMNA (0.49) LMNAALDH1A1GCKXBP1POLB
SCHEMBL2650213 0.72 ADORA2A (0.49) LMNAALDH1A1GAAXBP1HSD17B10
SCHEMBL2661212 0.70 GCK (0.48) LMNAALDH1A1GCKXBP1POLB
SCHEMBL2654770 0.70 GCK (0.65) GCKKCNH2EPHX2FFAR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594863-A1 TRI(CYCLO) SUBSTITUTED AMIDE GLUCOKINASE ACTIVATOR COMPOUNDS Prosidion Limited (GB) 2005-11-16 — — EP claimed
WO-2004072066-A1 TRI(CYCLO) SUBSTITUTED AMIDE GLUCOKINASE ACTIVATOR COMPOUNDS PROSIDION LIMITED (GB) 2004-08-26 — — WO claimed
EP-1594863-A1 TRI(CYCLO) SUBSTITUTED AMIDE GLUCOKINASE ACTIVATOR COMPOUNDS Prosidion Limited (GB) 2005-11-16 — — EP disclosed
WO-2004072066-A1 TRI(CYCLO) SUBSTITUTED AMIDE GLUCOKINASE ACTIVATOR COMPOUNDS PROSIDION LIMITED (GB) 2004-08-26 — — WO disclosed
Send feedback