SCHEMBL2653570

SCHEMBL2653570

O=C(Nc1nccs1)C(Cc1ccc(S)nc1)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ GCK P35557 2/20 0.43
▸ POLB P06746 2/20 0.42
▸ FFAR2 O15552 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HTT P42858 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HSPA1A P0DMV8 1/20 0.39
▸ HSPA5 P11021 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
SCHEMBL2654774 0.82 GCK (0.42) LMNAXBP1MEN1TSHRKMT2A
SCHEMBL2656251 0.81 ALDH1A1 (0.41) LMNAXBP1MEN1TSHRKMT2A
SCHEMBL2659242 0.80 LMNA (0.49) LMNAXBP1MEN1TSHRKMT2A
SCHEMBL2654196 0.80 LMNA (0.42) LMNAXBP1MEN1TSHRKMT2A
SCHEMBL2652195 0.79 NPC1 (0.54) LMNAXBP1ALDH1A1SMN1; SMN2PKM
SCHEMBL2650213 0.79 ADORA2A (0.49) LMNAXBP1MEN1TSHRKMT2A
SCHEMBL2651594 0.77 GCK (0.48) LMNAXBP1MEN1TSHRKMT2A
SCHEMBL2654618 0.75 GCK (0.67) EPHX2GCKPOLBFFAR2KCNH2
SCHEMBL2650774 0.75 MAPT (0.59) LMNAMEN1TSHRKMT2APOLB
SCHEMBL2661212 0.74 GCK (0.48) LMNAXBP1MEN1KMT2AGCK

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