SCHEMBL27973576

SCHEMBL27973576

CCCCOC(=O)c1c(CC(C)C)sc(S(N)(=O)=O)c1-c1cccc(Cn2ccnc2-c2ccsc2)c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 20/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41

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
SCHEMBL27973726 0.92 AGTR2 (0.44) AGTR2CYP2C9CYP2B6
SCHEMBL1724215 0.90 AGTR2 (0.52) AGTR2CYP2C9CYP2B6
SCHEMBL4327781 0.87 AGTR2 (0.45) AGTR2CYP2C9CYP2B6
SCHEMBL4313287 0.87 AGTR2 (0.48) AGTR2CYP2C9CYP2B6
SCHEMBL4306715 0.87 AGTR2 (0.43) AGTR2CYP2C9CYP2B6
SCHEMBL4310758 0.87 AGTR2 (0.49) AGTR2CYP2C9CYP2B6
SCHEMBL1724924 0.81 AGTR2 (0.54) AGTR2CYP2C9CYP2B6
SCHEMBL1720369 0.78 AGTR2 (0.69) AGTR2CYP2C9CYP2B6
SCHEMBL27973544 0.78 AGTR2 (0.62) AGTR2
SCHEMBL28813223 0.76 AGTR2 (0.39) AGTR2CYP2C9CYP2B6

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
CN-101193886-B New tricyclic angiotensin II agonists VICORE PHARMA AB 2014-08-27 CN disclosed