Propane

Propane

SCHEMBL28422715

CCC.Nc1nc(S)nc2c1[nH]c(=O)n2Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.67
TLR8 Q9NR97 1/20 0.53
HSP90B1 P14625 1/20 0.51
TRAP1 Q12931 1/20 0.51

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
SCHEMBL29488791 0.83 TLR7 (0.68) TLR7TLR8
SCHEMBL18207342 0.83 TLR7 (0.63) TLR7TLR8TRAP1
SCHEMBL18207604 0.83 TLR7 (0.68) TLR7TLR8
SCHEMBL18207673 0.82 TLR7 (0.67) TLR7TLR8HSP90B1TRAP1
SCHEMBL29488793 0.82 TLR7 (0.67) TLR7TLR8HSP90B1TRAP1
SCHEMBL18207584 0.82 TLR7 (0.65) TLR7TLR8
SCHEMBL18207658 0.82 TLR7 (0.74) TLR7
SCHEMBL18207494 0.81 TLR7 (0.64) TLR7TLR8
SCHEMBL19924997 0.81 TLR7 (0.63) TLR7TLR8
SCHEMBL18207267 0.81 TLR7 (1.00) TLR7

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
CN-107580596-B Sulfimidoylpurine ketone compounds and derivatives for the treatment and prevention of viral infections 豪夫迈·罗氏有限公司 2020-07-14 CN disclosed