SCHEMBL21318974

SCHEMBL21318974

CC(=O)/N=S(\C)c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 20/20 0.61
▸ NUDT1 P36639 1/20 0.53

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
Propane SCHEMBL28477001 0.81 TLR7 (0.65) TLR7NUDT1
SCHEMBL21318954 0.79 TLR7 (0.65) TLR7NUDT1
SCHEMBL18207513 0.78 TLR7 (0.55) TLR7NUDT1
SCHEMBL18207749 0.78 TLR7 (0.56) TLR7
SCHEMBL21318931 0.77 TLR7 (0.65) TLR7NUDT1
SCHEMBL18221022 0.77 TLR7 (0.75) TLR7
SCHEMBL3133950 0.77 TLR7 (0.77) TLR7NUDT1
SCHEMBL16206181 0.77 TLR7 (1.00) TLR7NUDT1
SCHEMBL18207523 0.77 TLR7 (0.53) TLR7NUDT1
SCHEMBL18207419 0.76 TLR7 (0.58) TLR7NUDT1

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-3294740-B1 NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-09-04 — — EP disclosed
Send feedback