SCHEMBL9852166

SCHEMBL9852166

CCNc1nc(-c2ccccc2)ns1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
HTT P42858 2/20 0.61
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
LMNA P02545 4/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ADORA3 P0DMS8 12/20 0.54
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
RXFP1 Q9HBX9 1/20 0.51
ADORA2A P29274 1/20 0.49

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
SCHEMBL26894235 0.85 KMT2A (0.53) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL9852227 0.80 NPC1 (0.66) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL10119744 0.79 ADORA3 (0.58) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL10509734 0.77 NPC1 (0.66) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL9892914 0.76 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL12890452 0.76 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL2210735 0.75 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL13718793 0.73 NPC1 (0.48) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL16254958 0.73 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL12297061 0.73 ADORA3 (0.53) NPC1RAB9ASMN1; SMN2HTTMEN1

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