SCHEMBL9033410

SCHEMBL9033410

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL9030527 0.93 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9032855 0.93 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9031694 0.92 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9262033 0.92 AGTR1 (0.38) AGTR1AGTR2ALDH1A1TDP1
SCHEMBL9031697 0.92 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9031132 0.91 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9030859 0.91 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9031955 0.91 AGTR1 (0.39) AGTR1AGTR2ALDH1A1TDP1KDM4E
SCHEMBL9029966 0.89 AGTR1 (0.38) AGTR1AGTR2ALDH1A1TDP1
SCHEMBL9031512 0.89 AGTR1 (0.40) 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