SCHEMBL9030859

SCHEMBL9030859

CCCOc1nc2c(C)sc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.40
AGTR2 P50052 2/20 0.40
ABCB11 O95342 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADRB3 P13945 1/20 0.39
ADRA2B P18089 1/20 0.39
SLC6A2 P23975 1/20 0.39
TBXAS1 P24557 1/20 0.39
HTR2C P28335 1/20 0.39
PPARG P37231 1/20 0.39
HTR2B P41595 1/20 0.39
PDE3A Q14432 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39

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
SCHEMBL9032855 0.94 AGTR1 (0.45) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL9030827 0.93 AGTR1 (0.42) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL9033410 0.91 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9262033 0.88 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9030832 0.88 AGTR1 (0.42) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL9031955 0.87 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9033635 0.87 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9029855 0.87 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9031141 0.86 AGTR1 (0.49) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL27524342 0.86 AGTR1 (0.38) AGTR1AGTR2ABCB11EGFRERBB2

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