SCHEMBL8364431

SCHEMBL8364431

CCCCc1cc(-n2cnc3cccc(C(=O)OC)c32)ccc1-c1ccccc1-c1nc(=S)s[nH]1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
ESR2 Q92731 1/20 0.33
FGFR1 P11362 2/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PLA2G2A P14555 1/20 0.32
SRC P12931 1/20 0.32
TLR8 Q9NR97 1/20 0.32
RIPK1 Q13546 1/20 0.32
DYRK1A Q13627 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31

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
SCHEMBL8362098 0.87 AGTR1 (0.35) AGTR1AGTR2ESR2FGFR1PLA2G2A
SCHEMBL8362079 0.85 AGTR1 (0.36) AGTR1AGTR2ESR2FGFR1PDE4A
SCHEMBL8359335 0.82 PLA2G2A (0.36) AGTR1AGTR2ESR2FGFR1PLA2G2A
SCHEMBL8364394 0.80 AGTR1 (0.34) AGTR1AGTR2ESR2FGFR1PDE4A
SCHEMBL8357506 0.79 FGFR1 (0.36) AGTR2ESR2FGFR1SRCDYRK1A
SCHEMBL8364433 0.79 AGTR2 (0.34) AGTR1AGTR2
SCHEMBL8587857 0.77 FGFR1 (0.36) ESR2FGFR1SRCDYRK1A
SCHEMBL8361978 0.77 PLA2G2A (0.36) AGTR1AGTR2ESR2FGFR1PLA2G2A
SCHEMBL8364419 0.75 DYRK1A (0.34) ESR2FGFR1PDE4BPDE4DSRC
SCHEMBL8421430 0.72 RIPK1 (0.37) ESR2FGFR1SRCTLR8RIPK1

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