SCHEMBL9422752

SCHEMBL9422752

CCCCc1nc2cc(Br)cc(C(=O)O)c2n1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.61
AGTR2 P50052 9/20 0.61
TLR7 Q9NYK1 1/20 0.56

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
SCHEMBL7055933 0.88 AGTR2 (0.66) AGTR1AGTR2TLR7
SCHEMBL7056945 0.83 KDM4E (0.52) AGTR1AGTR2
SCHEMBL9422855 0.80 AGTR1 (0.60) AGTR1AGTR2TLR7
SCHEMBL9422812 0.80 AGTR1 (0.58) AGTR1AGTR2TLR7
SCHEMBL9422766 0.78 AGTR2 (0.55) AGTR1AGTR2
SCHEMBL7671655 0.78 AGTR1 (0.83) AGTR1AGTR2
SCHEMBL9422897 0.78 AGTR1 (0.86) AGTR1AGTR2
SCHEMBL9200811 0.76 AGTR1 (1.00) AGTR1AGTR2TLR7
SCHEMBL9125532 0.76 AGTR1 (0.80) AGTR1AGTR2TLR7
SCHEMBL8081240 0.76 AGTR2 (0.73) AGTR1AGTR2TLR7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5294631-A Substituted benzimidazoles useful as angiotension II receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1994-03-15 US disclosed
EP-0525129-A4 SUBSTITUTED BENZIMIDAZOLES 1993-03-24 EP disclosed
EP-0525129-A1 SUBSTITUTED BENZIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1993-02-03 EP disclosed
WO-1991016313-A1 SUBSTITUTED BENZIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1991-10-31 WO disclosed