SCHEMBL20458153

SCHEMBL20458153

OC(Nc1nc(-c2ccccc2)ns1)[C@@H]1CCN1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.49
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
LMNA P02545 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 2/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 2/20 0.43
POLB P06746 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
SCHEMBL20458152 0.77 KDM4E (0.41) ADORA3NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL20458212 0.77 RAB9A (0.50) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL9892835 0.75 ADORA3 (0.67) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL12890452 0.71 SMN1; SMN2 (0.61) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL13257168 0.69 ADORA3 (0.68) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL13257010 0.69 ADORA3 (0.68) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL9790870 0.69 ADORA3 (0.58) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL9852227 0.66 NPC1 (0.66) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL10509734 0.66 NPC1 (0.66) ADORA3NPC1RAB9AMEN1KMT2A
SCHEMBL9852174 0.65 ADORA3 (0.77) ADORA3NPC1RAB9AMEN1KMT2A

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-2443107-B1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2018-08-08 EP disclosed