SCHEMBL9032306

SCHEMBL9032306

CCSc1nc2c(C)sc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.42
AGTR1 P30556 6/20 0.40
AGTR2 P50052 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
AR P10275 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL9264984 0.92 PPARG (0.43) PPARGAGTR1AGTR2
SCHEMBL9033453 0.87 PPARG (0.43) PPARGAGTR1AGTR2ALDH1A1KDM4E
SCHEMBL9032771 0.86 PPARG (0.43) PPARGAGTR1AGTR2ALDH1A1AR
SCHEMBL9030796 0.86 PPARG (0.44) PPARGAGTR1AGTR2ALDH1A1KDM4E
SCHEMBL9032562 0.85 PPARG (0.44) PPARGAGTR1AGTR2ALDH1A1AR
SCHEMBL7016142 0.85 AGTR1 (0.39) PPARGAGTR1AGTR2
SCHEMBL7016159 0.85 AGTR1 (0.40) AGTR1AGTR2ALDH1A1KDM4EHPGD
SCHEMBL9032906 0.84 PPARG (0.43) PPARGAGTR1AGTR2ALDH1A1KDM4E
SCHEMBL9031954 0.84 PPARG (0.45) PPARGAGTR1AGTR2ALDH1A1AR
SCHEMBL9031592 0.84 PPARG (0.44) PPARGAGTR1AGTR2MAPT

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 2 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
EP-0483683-A2 Thienoimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-05-06 EP disclosed