SCHEMBL9531448

SCHEMBL9531448

CCCCn1c(Cc2ccc(C(=O)O)cc2)nc2cc(Cl)c(C(=O)O)cc21

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.61
AGTR2 P50052 8/20 0.61
CNR2 P34972 5/20 0.51
CNR1 P21554 3/20 0.51
RHEB Q15382 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
PPARG P37231 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL9422897 0.84 AGTR1 (0.86) AGTR1AGTR2PPARG
SCHEMBL9200811 0.76 AGTR1 (1.00) AGTR1AGTR2RHEBPPARG
SCHEMBL9531834 0.76 ALOX5AP (0.50) AGTR1AGTR2CNR2CNR1JAK2
SCHEMBL6168981 0.72 AGTR1 (0.57) AGTR1AGTR2PPARG
SCHEMBL9125532 0.70 AGTR1 (0.80) AGTR1AGTR2PPARG
SCHEMBL7671655 0.69 AGTR1 (0.83) AGTR1AGTR2PPARG
SCHEMBL9124594 0.69 AGTR1 (0.78) AGTR1AGTR2PPARG
SCHEMBL9422812 0.68 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL7055933 0.67 AGTR2 (0.66) AGTR1AGTR2
SCHEMBL10430040 0.67 AGTR1 (0.80) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525129-A4 SUBSTITUTED BENZIMIDAZOLES 1993-03-24 EP claimed
EP-0525129-A1 SUBSTITUTED BENZIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1993-02-03 EP claimed
WO-1991016313-A1 SUBSTITUTED BENZIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1991-10-31 WO claimed