SCHEMBL9070872

SCHEMBL9070872

COc1cc(C(=O)Nc2nc(C)cs2)cc(OC(C)C)n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 2/20 0.56
MAPT P10636 2/20 0.56
GCK P35557 9/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GRM5 P41594 3/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL2668013 0.88 GRM5 (0.63) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL2667805 0.88 GRM5 (0.63) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL9071035 0.87 MAPT (0.52) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL9071034 0.87 MAPT (0.52) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL9071036 0.87 MAPT (0.52) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL2667935 0.87 RAB9A (0.43) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL2667609 0.86 GCK (0.58) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL2667597 0.86 NPC1 (0.51) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL2667944 0.85 MAPT (0.52) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL2667628 0.84 NPC1 (0.57) NPC1RAB9ASMN1; SMN2HPGDMAPT

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