SCHEMBL7018487

SCHEMBL7018487

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

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.46
AGTR2 P50052 7/20 0.46
TBXAS1 P24557 1/20 0.44
TLR7 Q9NYK1 2/20 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
SCHEMBL7018485 0.88 AGTR2 (0.50) AGTR1AGTR2
SCHEMBL9571751 0.87 TLR7 (0.45) AGTR1AGTR2TLR7
SCHEMBL7025070 0.82 ENPP2 (0.52) AGTR1AGTR2TBXAS1
SCHEMBL8912409 0.81 TLR7 (0.47) AGTR1AGTR2TLR7
SCHEMBL8543697 0.76 AGTR2 (0.70) AGTR1AGTR2
SCHEMBL7023774 0.75 ALDH1A1 (0.55)
SCHEMBL9040398 0.74 AGTR2 (0.56) AGTR1AGTR2
SCHEMBL9571749 0.72 AGTR2 (0.45) AGTR1AGTR2TLR7
SCHEMBL9043313 0.72 AGTR2 (0.56) AGTR1AGTR2
Water SCHEMBL9041722 0.71 AGTR2 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533058-B1 Imidazo-fused iso- and heterocycles as angiotensin II antagonists HOECHST AG (DE) 2003-08-20 EP disclosed
EP-0533058-A1 Imidazo-fused iso- and heterocycles as angiotensin II antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-24 EP disclosed