SCHEMBL9029966

SCHEMBL9029966

COC(=O)c1sc(C)c2nc(C(C)C)n(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c12

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9262033 0.90 AGTR1 (0.38) AGTR1AGTR2ALDH1A1TDP1
SCHEMBL9033410 0.89 AGTR1 (0.40) AGTR1AGTR2ALDH1A1TDP1
SCHEMBL9031955 0.89 AGTR1 (0.39) AGTR1AGTR2ALDH1A1TDP1
SCHEMBL9031320 0.88 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9031512 0.87 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9032855 0.87 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9029855 0.86 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9032292 0.86 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9030859 0.86 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9032973 0.86 AGTR1 (0.41) AGTR1AGTR2

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-0483683-B1 Thienoimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-02-28 EP disclosed
US-5463073-A Angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-31 US disclosed
EP-0483683-A2 Thienoimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-05-06 EP disclosed