SCHEMBL5823463

SCHEMBL5823463

[AsH2]n1cnc2cnc3ccccc3c21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
GPR3 P46089 1/20 0.42
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ERN1 O75460 1/20 0.35
RAB9A P51151 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
NPC1 O15118 1/20 0.33
USP5 P45974 1/20 0.33
NCF1 P14598 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33

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
SCHEMBL5528658 0.78 KDM4E (0.42) KDM4EGPR3HPGDHSD17B10USP5
SCHEMBL204996 0.78 KDM4E (0.42) KDM4EGPR3HPGDHSD17B10ERN1
SCHEMBL5092806 0.78 KDM4E (0.42) KDM4EGPR3HPGDHSD17B10ERN1
SCHEMBL4703998 0.78 KDM4E (0.42) KDM4EGPR3HPGDHSD17B10ERN1
SCHEMBL1486425 0.76 KDM4E (0.41) KDM4EGPR3HPGDHSD17B10ERN1
SCHEMBL2252071 0.75 FGFR1 (0.54) RAB9AADORA3
SCHEMBL2707327 0.74 KDM4E (0.39) KDM4EGPR3HPGDHSD17B10NPC1
SCHEMBL8721713 0.74 KDM4E (0.39) KDM4EGPR3HPGDHSD17B10RAB9A
SCHEMBL4817117 0.74 KDM4E (0.39) KDM4EGPR3HPGDHSD17B10RAB9A
SCHEMBL9601955 0.74 SMN1; SMN2 (0.42) KDM4EGPR3RAB9ANPC1TLR7

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-2006028451-A1 1-AMINO 1-H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed