SCHEMBL2667658

SCHEMBL2667658

Cc1csc(NC(=O)c2cc(OC(C)C)nc(O[C@H](C)Cc3ccccc3)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
GCK P35557 7/20 0.53
SCD O00767 4/20 0.52
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
NOX1 Q9Y5S8 1/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.48
GRM5 P41594 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL2667627 1.00 NPC1 (0.57) NPC1RAB9AGCKSCDMAPT
SCHEMBL2667628 1.00 NPC1 (0.57) NPC1RAB9AGCKSCDMAPT
SCHEMBL2667964 0.91 GRM5 (0.58) NPC1RAB9AGCKSCDMAPT
SCHEMBL9070867 0.89 SCD (0.56) NPC1RAB9AGCKSCDMAPT
SCHEMBL9071036 0.87 MAPT (0.52) NPC1RAB9AGCKSCDMAPT
SCHEMBL9071035 0.87 MAPT (0.52) NPC1RAB9AGCKSCDMAPT
SCHEMBL9071034 0.87 MAPT (0.52) NPC1RAB9AGCKSCDMAPT
SCHEMBL2667668 0.87 ALDH1A1 (0.52) SCDMAPK1NOX1SMN1; SMN2HTT
SCHEMBL9070864 0.87 NPC1 (0.54) NPC1RAB9AGCKSCDMAPT
SCHEMBL2667629 0.87 ALDH1A1 (0.52) SCDMAPK1NOX1SMN1; SMN2HTT

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