SCHEMBL8010338

SCHEMBL8010338

CCCSc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2)c(-c2nc(=O)o[nH]2)c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7018637 0.92 AGTR2 (0.45)
SCHEMBL8359329 0.86 AGTR2 (0.46)
SCHEMBL7022032 0.85 AGTR2 (0.46)
SCHEMBL7016132 0.84
SCHEMBL7016995 0.82 AGTR2 (0.45)
SCHEMBL8010343 0.79 PPARG (0.43)
SCHEMBL7011145 0.78 PPARG (0.51)
SCHEMBL5138326 0.78 AGTR1 (0.61)
SCHEMBL7017665 0.78
SCHEMBL7019646 0.78 AGTR2 (0.50)

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