SCHEMBL8364349

SCHEMBL8364349

CCc1nc2c(C)ccc(C(=O)OC)c2n1-c1ccc(-c2ccccc2-c2nc(=S)o[nH]2)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
PPARG P37231 2/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32

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
SCHEMBL8363436 0.94 AGTR1 (0.37) PPARGAGTR1AGTR2
SCHEMBL8359678 0.93 PPARG (0.39) PPARGAGTR1AGTR2
SCHEMBL8587441 0.91 AGTR2 (0.35) PARP1PDCD1CD274PPARGAGTR1
SCHEMBL8356855 0.85 AGTR1 (0.38) PPARGAGTR1AGTR2
SCHEMBL8362097 0.84 PPARG (0.39) PPARGAGTR2
SCHEMBL8587855 0.81 PPARG (0.38) PPARG
SCHEMBL8357510 0.81 AGTR2 (0.37) PDCD1CD274PPARGAGTR1AGTR2
SCHEMBL8361975 0.81 ALDH1A1 (0.36) PPARG
SCHEMBL8363455 0.80 PDCD1 (0.36) PDCD1CD274SLC6A4SLC6A3
SCHEMBL8589024 0.80 TP53 (0.35) PPARGAGTR2

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
US-5883111-A STRONG AND LONG-LASTING ACTION BY ORAL ADMINISTRATION; HYPOTENSIVE AGENTS; CARDIOTONIC AGENTS; ALZHEIMER'S DISEASE; TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-16 US disclosed
US-5736555-A HYPOTENSIVE AGENTS; FDA ORANGE BOOK LISTED PATENT FOR AZILSARTAN MEDOXOMIL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-07 US disclosed