SCHEMBL9532236

SCHEMBL9532236

CCCCc1nc2c(C)cc(Cl)c(C(=O)O)c2n1-c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 1/20 0.41
APLNR P35414 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38

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
SCHEMBL9530798 0.85 ALDH1A1 (0.41) NOTUMALDH1A1TLR7
SCHEMBL9422754 0.84 NOTUM (0.44) NOTUMALDH1A1AGTR1AGTR2
SCHEMBL9537616 0.81 NOTUM (0.46) NOTUMALDH1A1APLNRAGTR1AGTR2
SCHEMBL9422896 0.78 NOTUM (0.44) NOTUMALDH1A1AGTR1AGTR2
SCHEMBL9754909 0.76 TLR8 (0.37) ALDH1A1APLNRTLR7
SCHEMBL9856773 0.72 ALDH1A1 (0.46) ALDH1A1APLNR
SCHEMBL6968208 0.70 TLR8 (0.45) ALDH1A1APLNRAGTR1AGTR2
SCHEMBL27461046 0.70 ALDH1A1 (0.42) ALDH1A1APLNR
SCHEMBL7270020 0.69 ALDH1A1 (0.41) ALDH1A1APLNRAGTR1AGTR2
SCHEMBL7270215 0.69 AGTR1 (0.47) ALDH1A1APLNRAGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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