SCHEMBL9033453

SCHEMBL9033453

COC(=O)c1sc(C)c2nc(OC)n(Cc3ccc(-c4ccccc4C#N)cc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.43
ALDH1A1 P00352 2/20 0.39
AR P10275 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
ADORA2A P29274 1/20 0.38
ALOX5AP P20292 1/20 0.37
DRD2 P14416 1/20 0.37
TBXA2R P21731 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAB1 Q9Y478 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
SCHEMBL9032771 0.92 PPARG (0.43) PPARGALDH1A1ARTDP1AGTR1
SCHEMBL9031954 0.91 PPARG (0.45) PPARGALDH1A1ARTDP1AGTR1
SCHEMBL9032562 0.91 PPARG (0.44) PPARGALDH1A1ARTDP1AGTR1
SCHEMBL9030796 0.88 PPARG (0.44) PPARGALDH1A1ARTDP1KDM4E
SCHEMBL9032306 0.87 PPARG (0.42) PPARGALDH1A1ARTDP1KDM4E
SCHEMBL9032906 0.86 PPARG (0.43) PPARGALDH1A1ARTDP1KDM4E
SCHEMBL9031469 0.86 PPARG (0.43) PPARGALDH1A1ARTDP1AGTR1
SCHEMBL9033410 0.82 AGTR1 (0.40) ALDH1A1TDP1KDM4EGLAGAA
SCHEMBL7016745 0.82 PPARG (0.37) PPARGALDH1A1TDP1KDM4EGLA
SCHEMBL9031128 0.82 PPARG (0.54) PPARGAGTR1AGTR2

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