SCHEMBL9422754

SCHEMBL9422754

CCCCc1nc2c(C)ccc(C(=O)O)c2n1-c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
AGTR1 P30556 2/20 0.43
AGTR2 P50052 2/20 0.43
ALDH1A1 P00352 1/20 0.42
PPARG P37231 1/20 0.39

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
SCHEMBL9537616 0.86 NOTUM (0.46) NOTUMAGTR1AGTR2ALDH1A1
SCHEMBL9532236 0.84 NOTUM (0.41) NOTUMAGTR1AGTR2ALDH1A1
SCHEMBL9422896 0.83 NOTUM (0.44) NOTUMAGTR1AGTR2ALDH1A1
SCHEMBL9754909 0.81 TLR8 (0.37) ALDH1A1
SCHEMBL9530798 0.80 ALDH1A1 (0.41) NOTUMALDH1A1
SCHEMBL9856773 0.73 ALDH1A1 (0.46) ALDH1A1
SCHEMBL8364392 0.72 AGTR2 (0.44) AGTR1AGTR2
SCHEMBL8362076 0.72 AGTR2 (0.40) AGTR1AGTR2PPARG
SCHEMBL8362097 0.72 PPARG (0.39) AGTR2PPARG
SCHEMBL8364430 0.71 PPARG (0.38) AGTR1AGTR2PPARG

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