SCHEMBL12640960

SCHEMBL12640960

Nc1nc2ccccc2c2c1ncn2CCCNC(=O)CCCC[C@@H]1SC[C@H](NC=O)[C@@H]1N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 16/20 0.39
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ NUDT1 P36639 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ TLR8 Q9NR97 12/20 0.36
▸ BCHE P06276 4/20 0.34
▸ ACHE P22303 4/20 0.34

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
SCHEMBL3864917 0.79 TDP1 (0.53) —
SCHEMBL3867295 0.77 SLC6A4 (0.51) ADORA2A
SCHEMBL13956163 0.76 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL13937472 0.76 TLR7 (0.46) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5745097 0.75 TLR7 (0.54) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5749443 0.75 TLR7 (0.49) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5617011 0.75 TLR7 (0.52) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5750170 0.75 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL13937480 0.75 TLR7 (0.49) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL13937498 0.74 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D

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
US-20110142874-A1 Compositions, Methods, and Kits for Eliciting an Immune Response ARIZONA BOARD OF REGENTS (US) 2011-06-16 — — US disclosed
Send feedback