SCHEMBL8587441

SCHEMBL8587441

CCOc1nc2c(C)ccc(C(=O)OC)c2n1-c1ccc(-c2ccccc2-c2nc(=S)o[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
PARP1 P09874 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
AGTR1 P30556 3/20 0.32
ABCB11 O95342 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP2C9 P11712 1/20 0.32
ADRB3 P13945 1/20 0.32
ADRA2B P18089 1/20 0.32
SLC6A2 P23975 1/20 0.32
TBXAS1 P24557 1/20 0.32
HTR2C P28335 1/20 0.32
PPARG P37231 1/20 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
SCHEMBL8364349 0.91 PARP1 (0.33) AGTR2PDCD1CD274PARP1AGTR1
SCHEMBL8357510 0.91 AGTR2 (0.37) AGTR2PDCD1CD274POLBLMNA
SCHEMBL8363436 0.88 AGTR1 (0.37) AGTR2AGTR1PPARGSMN1; SMN2
SCHEMBL8359678 0.87 PPARG (0.39) AGTR2AGTR1PPARG
SCHEMBL8361975 0.85 ALDH1A1 (0.36) LMNAPPARGSMN1; SMN2
SCHEMBL8417421 0.85 AGTR1 (0.34) AGTR2PDCD1CD274AGTR1ABCB11
SCHEMBL8589024 0.84 TP53 (0.35) AGTR2POLBTP53PPARG
SCHEMBL8357459 0.84 AGTR2 (0.36) AGTR2PDCD1CD274POLBLMNA
SCHEMBL8359530 0.83 AGTR1 (0.39) AGTR2AGTR1ABCB11EGFRERBB2
SCHEMBL8359639 0.83 PDCD1 (0.36) AGTR2PDCD1CD274POLBLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5736555-A HYPOTENSIVE AGENTS; FDA ORANGE BOOK LISTED PATENT FOR AZILSARTAN MEDOXOMIL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-07 US disclosed