SCHEMBL9852290

SCHEMBL9852290

CC(=O)Nc1nc(C)ns1.c1cc2cc-2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GRM1 Q13255 1/20 0.48
ADORA3 P0DMS8 4/20 0.48
ABL1 P00519 2/20 0.47
PIK3CG P48736 2/20 0.47
HTT P42858 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PSMB11 A5LHX3 1/20 0.43
PSMD11 O00231 1/20 0.43
PSMD12 O00232 1/20 0.43
PSMD14 O00487 1/20 0.43

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
SCHEMBL9852284 0.85 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1NPC1RAB9ALMNA
SCHEMBL16254958 0.75 SMN1; SMN2 (1.00) SMN1; SMN2L3MBTL1NPC1RAB9ALMNA
SCHEMBL31665226 0.74 ALDH1A1 (0.51) SMN1; SMN2L3MBTL1NPC1RAB9ALMNA
SCHEMBL3759738 0.73 GRM1 (0.49) SMN1; SMN2L3MBTL1NPC1RAB9ALMNA
SCHEMBL1377141 0.72 ADORA3 (0.68) SMN1; SMN2L3MBTL1NPC1RAB9ALMNA
SCHEMBL6977028 0.71 PRKACA (0.51) SMN1; SMN2L3MBTL1NPC1RAB9ALMNA
SCHEMBL24491092 0.69 GRM1 (0.43) SMN1; SMN2L3MBTL1NPC1RAB9ALMNA
SCHEMBL7397370 0.69 KDM4E (0.49) SMN1; SMN2L3MBTL1NPC1RAB9AMEN1
SCHEMBL9852280 0.69 ALDH1A1 (0.69) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL30058875 0.68 ABL1 (0.72) SMN1; SMN2L3MBTL1NPC1RAB9AMEN1

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
EP-0455356-A1 Substituted 5-amino-1,2,4-thiadiazoles with pharmaceutical activity LILLY INDUSTRIES LIMITED (GB) 1991-11-06 EP disclosed