SCHEMBL3673199

SCHEMBL3673199

CCOc1ccc(Nc2cc(C)nc(-c3ccc(Br)cc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.56
ALOX15 P16050 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
SLC2A1 P11166 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
HSP90AA1 P07900 1/20 0.54
GAA P10253 1/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GBA1 P04062 2/20 0.54
CYP1A2 P05177 1/20 0.52
GPR119 Q8TDV5 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL390423 0.86 ABCG2 (0.74) ABCG2ALOX15SMN1; SMN2SLC2A1MAPK1
SCHEMBL389903 0.83 MEN1 (0.74) ABCG2ALOX15SMN1; SMN2NPSR1NPC1
SCHEMBL390057 0.80 ABCG2 (0.80) ABCG2ALOX15SMN1; SMN2MAPK1NPSR1
SCHEMBL5486371 0.73 ABCG2 (0.78) ABCG2SLC2A1NPSR1NPC1RAB9A
SCHEMBL387105 0.72 SMN1; SMN2 (0.73) ABCG2ALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL4217675 0.71 NPSR1 (1.00) ALOX15SMN1; SMN2TSHRMAPK1NPSR1
SCHEMBL13692629 0.71 SLC2A1 (1.00) SMN1; SMN2SLC2A1TSHRHSD17B10ALDH1A1
SCHEMBL21670532 0.71 ACP1 (0.51) SMN1; SMN2SLC2A1NPSR1NPC1RAB9A
SCHEMBL18764364 0.71 MEN1 (0.79) ABCG2ALOX15SMN1; SMN2SLC2A1MAPK1
SCHEMBL2412362 0.70 MAPT (0.60) ALOX15SMN1; SMN2TSHRMAPK1NPSR1

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
US-20100285494-A1 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES AND CONDITIONS RELATED THERETO AND FOR THE TREATMENT OF CONDITIONS AMELIORATED BY INCREASING A BLOOD GLP-1 LEVEL ARENA PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed