SCHEMBL8361978

SCHEMBL8361978

CCCCOc1cc(-n2cnc3cccc(C(=O)OC)c32)ccc1-c1ccccc1-c1nc(=S)o[nH]1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.36
FGFR1 P11362 3/20 0.35
SRC P12931 1/20 0.35
ESR2 Q92731 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE5A O76074 2/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
CNR1 P21554 1/20 0.33
TLR8 Q9NR97 1/20 0.33
RIPK1 Q13546 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NR2E1 Q9Y466 2/20 0.32
DYRK1A Q13627 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL8362098 0.90 AGTR1 (0.35) PLA2G2AFGFR1SRCESR2AGTR1
SCHEMBL8359535 0.86 FGFR1 (0.36) FGFR1SRCESR2MEN1KMT2A
SCHEMBL8359335 0.85 PLA2G2A (0.36) PLA2G2AFGFR1SRCESR2MEN1
SCHEMBL8359913 0.84 FGFR1 (0.34) FGFR1SRCESR2RIPK1ALDH1A1
SCHEMBL8362079 0.83 AGTR1 (0.36) PLA2G2AFGFR1SRCESR2AGTR1
SCHEMBL8587857 0.82 FGFR1 (0.36) FGFR1SRCESR2PDE5AALDH1A1
SCHEMBL8419025 0.80 FGFR1 (0.36) FGFR1SRCMEN1KMT2ADYRK1A
SCHEMBL8587444 0.80 TSHR (0.36) PDE5AAGTR2
SCHEMBL8361981 0.80 PTPN11 (0.37) ALDH1A1
SCHEMBL8357507 0.79 FGFR1 (0.34) FGFR1SRCESR2MEN1KMT2A

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