SCHEMBL4789183

SCHEMBL4789183

COc1nc(NC(=O)C2COc3ccccc3O2)c(C(=O)O)n1-c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
HTT P42858 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TSHR P16473 3/20 0.46
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL4896089 0.90 L3MBTL1 (0.46) NPC1RAB9AL3MBTL1HTTALDH1A1
SCHEMBL3288928 0.81 L3MBTL1 (0.46) NPC1RAB9AL3MBTL1HTTALDH1A1
SCHEMBL4788680 0.75 MAPT (0.45) NPC1RAB9AL3MBTL1HTTALDH1A1
SCHEMBL3441603 0.71 L3MBTL1 (0.48) NPC1RAB9AL3MBTL1HTTALDH1A1
SCHEMBL4788013 0.70 ENPP2 (0.43) ALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL4896320 0.70 L3MBTL1 (0.54) NPC1RAB9AL3MBTL1HTTALDH1A1
SCHEMBL4789019 0.70 SMN1; SMN2 (0.41) NPC1RAB9AL3MBTL1ALDH1A1KDM4E
SCHEMBL3441807 0.69 L3MBTL1 (0.47) NPC1RAB9AL3MBTL1HTTALDH1A1
SCHEMBL13923633 0.67 RAB9A (0.65) NPC1RAB9AL3MBTL1HTTALDH1A1
SCHEMBL7491132 0.65 NPC1 (0.62) NPC1RAB9AL3MBTL1HTTALDH1A1

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-2008130313-A1 IMIDAZOLE DERIVATIVES AS MODULATORS OF THE GABA RECEPTOR FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2008-10-30 WO disclosed