SCHEMBL6664826

SCHEMBL6664826

Nc1nc2ccccc2cc1CCO

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 12/20 0.66
BACE1 P56817 2/20 0.50
IKBKB O14920 1/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
ACHE P22303 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL317874 0.79 TLR8 (0.62) TLR8IKBKBKMT2AMEN1NPC1
SCHEMBL16836409 0.79 TLR8 (1.00) TLR8
SCHEMBL16486514 0.78 TLR8 (1.00) TLR8
SCHEMBL1019128 0.78 TLR8 (0.70) TLR8IKBKBKMT2AMEN1NPC1
SCHEMBL317873 0.78 TLR8 (0.60) TLR8IKBKBKMT2AMEN1NPC1
SCHEMBL16836327 0.77 TLR8 (0.97) TLR8
SCHEMBL4915121 0.76 PDE10A (0.53) TLR8KMT2AMEN1ALDH1A1KDM4E
Formamide SCHEMBL7622881 0.76 TLR8 (0.40) TLR8BACE1IKBKBKMT2AMEN1
SCHEMBL16848237 0.76 TLR8 (1.00) TLR8BACE1IKBKBALDH1A1KDM4E
SCHEMBL29120967 0.76 HTR3A (0.47) TLR8IKBKBKMT2AMEN1NPC1

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-2004022567-A1 HETEROARYL-ETHANOLAMINE DERIVATIVES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-18 WO disclosed