SCHEMBL2667941

SCHEMBL2667941

CCCCCOc1cc(C(=O)Nc2nc3ccccc3s2)cc(OC)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.57
SCD O00767 8/20 0.57
RAB9A P51151 6/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
KDM4E B2RXH2 1/20 0.57
HTT P42858 1/20 0.57
DHODH Q02127 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
NFKB1 P19838 1/20 0.56
CYP2C19 P33261 1/20 0.56
STAT1 P42224 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
TOP1 P11387 2/20 0.54
MAPT P10636 2/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL9070897 0.89 SCD (0.56) NPC1SCDRAB9AMEN1KMT2A
SCHEMBL2667947 0.83 CASP3 (0.56) NPC1SCDRAB9AMEN1KMT2A
SCHEMBL4910923 0.82 NPC1 (0.71) NPC1SCDRAB9AMEN1KMT2A
SCHEMBL4919472 0.81 NPC1 (0.70) NPC1SCDRAB9AMEN1KMT2A
SCHEMBL9070899 0.79 RAB9A (0.49) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL2667713 0.79 NPC1 (0.52) NPC1SCDRAB9AMEN1KMT2A
SCHEMBL9070898 0.78 SMN1; SMN2 (0.56) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL2667942 0.78 RAB9A (0.62) NPC1SCDRAB9AMEN1KMT2A
SCHEMBL2667712 0.78 NPC1 (0.53) NPC1SCDRAB9AMEN1KMT2A
SCHEMBL2667497 0.78 SCD (0.52) NPC1SCDRAB9AMEN1KMT2A

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