SCHEMBL2667597

SCHEMBL2667597

Cc1csc(NC(=O)c2cc(OC(C)C)nc(OC(CF)CF)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 2/20 0.51
GCK P35557 9/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GRM5 P41594 4/20 0.46
CYP3A4 P08684 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
SCD O00767 1/20 0.44

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
SCHEMBL9070872 0.86 NPC1 (0.56) NPC1RAB9AMAPTGCKSMN1; SMN2
SCHEMBL2667590 0.86 MAPK1 (0.47) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9071036 0.86 MAPT (0.52) NPC1RAB9AMAPTGCKSMN1; SMN2
SCHEMBL9071034 0.86 MAPT (0.52) NPC1RAB9AMAPTGCKSMN1; SMN2
SCHEMBL9071035 0.86 MAPT (0.52) NPC1RAB9AMAPTGCKSMN1; SMN2
SCHEMBL2667834 0.84 MAPK1 (0.64) NPC1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2668013 0.84 GRM5 (0.63) NPC1RAB9AMAPTGCKSMN1; SMN2
SCHEMBL2667805 0.84 GRM5 (0.63) NPC1RAB9AMAPTGCKSMN1; SMN2
SCHEMBL2667489 0.83 GRM5 (0.50) NPC1RAB9AMAPTGCKSMN1; SMN2
SCHEMBL2667609 0.83 GCK (0.58) NPC1RAB9AMAPTGCKSMN1; SMN2

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