SCHEMBL9754985

SCHEMBL9754985

CCCCc1nc2cc(Cl)cc(C(=O)O)c2n1Cc1ccccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.54
AGTR1 P30556 4/20 0.52

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
SCHEMBL9422984 0.93 KDM4E (0.53) AGTR2AGTR1
SCHEMBL7055933 0.84 AGTR2 (0.66) AGTR2AGTR1
SCHEMBL9422780 0.84 KDM4E (0.52) AGTR2AGTR1
SCHEMBL9422906 0.83 AGTR1 (0.49) AGTR2AGTR1
SCHEMBL7056945 0.83 KDM4E (0.52) AGTR2AGTR1
SCHEMBL9422757 0.83 KDM4E (0.52) AGTR2AGTR1
SCHEMBL9422766 0.82 AGTR2 (0.55) AGTR2AGTR1
SCHEMBL6170644 0.82 AGTR2 (0.53) AGTR2AGTR1
SCHEMBL9422987 0.79 AGTR2 (0.52) AGTR2AGTR1
SCHEMBL9422812 0.78 AGTR1 (0.58) AGTR2AGTR1

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
WO-1991016313-A1 SUBSTITUTED BENZIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1991-10-31 WO disclosed