SCHEMBL2667652

SCHEMBL2667652

CCc1csc(NC(=O)c2cc(OCCc3ccsc3)nc(OCC(C)C)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.46
PTGES O14684 1/20 0.45
ALOX5 P09917 1/20 0.45
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
SCD O00767 2/20 0.40
LNPEP Q9UIQ6 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
PDE5A O76074 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 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
SCHEMBL2667651 0.90 GCK (0.46) GCKPTGESALOX5SCDMEN1
SCHEMBL9070795 0.87 GCK (0.47) GCKPTGESALOX5MAPK1LMNA
SCHEMBL9070964 0.84 GCK (0.50) GCKPTGESALOX5MAPK1HTT
SCHEMBL9070793 0.82 SCD (0.55) MAPK1HTTSCDCSNK2A2CSNK2B
SCHEMBL9070963 0.81 GCK (0.52) GCKPTGESALOX5SCDMEN1
SCHEMBL2667661 0.80 NPC1 (0.54) GCKHTTSCDMEN1KMT2A
SCHEMBL2667643 0.80 RAB9A (0.49) GCKPTGESALOX5MAPK1HTT
SCHEMBL9070971 0.78 GCK (0.53) GCKPTGESALOX5MAPK1LMNA
SCHEMBL9070970 0.77 GCK (0.51) GCKPTGESALOX5LNPEPLMNA
SCHEMBL2667667 0.77 NPC1 (0.51) GCKSCDMEN1KMT2ARAB9A

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-2009083553-A1 AZINE COMPOUNDS AS GLUCOKINASE ACTIVATORS RHEOSCIENCE A/S (DK) 2009-07-09 WO disclosed