SCHEMBL8010343

SCHEMBL8010343

CCCc1nc2cccc(C(=S)OC)c2n1Cc1ccc(-c2ccccc2)c(-c2nc(=O)o[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.43

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
SCHEMBL7018644 0.91 PPARG (0.48) PPARG
SCHEMBL7016139 0.84 PPARG (0.52) PPARG
SCHEMBL7011145 0.83 PPARG (0.51) PPARG
SCHEMBL7019531 0.81 PPARG (0.60) PPARG
SCHEMBL7017003 0.81 AGTR2 (0.43)
SCHEMBL8359329 0.79 AGTR2 (0.46) PPARG
SCHEMBL8010338 0.79 MEN1 (0.40)
SCHEMBL5138326 0.78 AGTR1 (0.61) PPARG
SCHEMBL7019109 0.77 AGTR2 (0.64) PPARG
SCHEMBL7103160 0.76 PPARG (0.50) PPARG

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
US-6100252-A SPECIFIED COMPOUNDS INCLUDING METHYL 2-BUTYL-1-((2'-(2-OXO-3H-1,2,3,5-OXATHIADIAZOL-4-YL)BIPHENYL) METHYL)-BENZIMIDAZOLE-7-CARBOXYLATE; USE TO TREAT CIRCULATORY DISEASES SUCH AS HYPERTENSIVE DISEASES AND HEART DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-08 US disclosed