SCHEMBL9033745

SCHEMBL9033745

CCCC(=O)[N+]#Cc1ccccc1-c1ccc(CNc2c(C(=O)OC(C)(C)C)sc(C)c2C(=O)O)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.32
PTPN1 P18031 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
BDKRB1 P46663 2/20 0.32
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
PPARG P37231 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9031742 0.81 BDKRB1 (0.37) ACHEBDKRB1MEN1KMT2A
SCHEMBL9039532 0.77 MYC (0.32) LTB4R2BDKRB1
SCHEMBL9031434 0.74 MYC (0.39) ACHEBDKRB1PPARGMEN1KMT2A
SCHEMBL9032114 0.71 MYC (0.35) BDKRB1MEN1KMT2A
SCHEMBL9196004 0.69 BDKRB1 (0.42) LTB4R2BDKRB1
SCHEMBL8553594 0.68 AGTR1 (0.44) BDKRB1AGTR1AGTR2MEN1KMT2A
SCHEMBL3974805 0.64 HPGD (0.37) BDKRB1
SCHEMBL9199570 0.63 ALDH1A1 (0.39) AGTR1AGTR2MEN1KMT2A
SCHEMBL9443122 0.62 FNTA (0.37) LTB4R2BDKRB1PPARGMEN1KMT2A
SCHEMBL9197854 0.60 ALDH1A1 (0.39) AGTR1AGTR2MEN1KMT2A

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