SCHEMBL8912409

SCHEMBL8912409

CCCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc2c(Cl)c(C(=O)OC)sc2c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.47
TLR8 Q9NR97 1/20 0.47
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44

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
SCHEMBL9571751 0.89 TLR7 (0.45) TLR7TLR8AGTR1AGTR2
SCHEMBL7018485 0.87 AGTR2 (0.50) AGTR1AGTR2
SCHEMBL7023774 0.85 ALDH1A1 (0.55)
SCHEMBL7018487 0.81 AGTR1 (0.46) TLR7AGTR1AGTR2
SCHEMBL7014033 0.76 AGTR2 (0.72) AGTR1AGTR2
SCHEMBL7025070 0.76 ENPP2 (0.52) AGTR1AGTR2
SCHEMBL7010494 0.76 TLR7 (0.43) TLR7
SCHEMBL7011288 0.75 AGTR2 (0.58) AGTR1AGTR2
SCHEMBL7017061 0.75 AGTR2 (0.58) AGTR1AGTR2
SCHEMBL7015958 0.75 AGTR2 (0.51) AGTR1AGTR2

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-5635525-A DIAGNOSTICS HOECHST AKTIENGESELLSCHAFT (DE) 1997-06-03 US disclosed