SCHEMBL5658809

SCHEMBL5658809

COc1cc(Cc2cnc(N)nc2N)c2cc(C(O)c3cccc4ccccc34)oc2c1OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.46
P2RX2 Q9UBL9 2/20 0.46
DHFR P00374 2/20 0.46
MEN1 O00255 1/20 0.46
SLC22A1 O15245 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL5656778 0.88 SMN1; SMN2 (0.51) P2RX3P2RX2DHFRMEN1SLC22A1
SCHEMBL7689647 0.83 DHFR (0.48) P2RX3P2RX2DHFRMEN1SLC22A1
SCHEMBL7687711 0.82 DHFR (0.47) P2RX3P2RX2DHFRMEN1SLC22A1
SCHEMBL5657657 0.82 DHFR (0.47) P2RX3P2RX2DHFRMEN1SLC22A1
SCHEMBL5660733 0.82 DHFR (0.49) P2RX3P2RX2DHFRMEN1SLC22A1
SCHEMBL5656006 0.81 DHFR (0.52) P2RX3P2RX2DHFRMEN1SLC22A1
SCHEMBL5657306 0.80 DHFR (0.48) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5656166 0.79 DHFR (0.50) P2RX3P2RX2DHFRMEN1SLC22A1
SCHEMBL5655704 0.78 DHFR (0.53) P2RX3P2RX2DHFRMEN1SLC22A1
SCHEMBL5658141 0.77 DHFR (0.55) DHFRMEN1SLC22A1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030130-B2 Benzofuran derivatives and their use as antibacterial agents ARPIDA AG (CH) 2006-04-18 US claimed
EP-1307445-B1 BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ARPIDA AG (CH) 2005-12-21 EP claimed
EP-1307445-A1 BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Arpida AG, (CH) 2003-05-07 EP claimed
WO-2002010157-A1 BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ARPIDA AG (CH) 2002-02-07 WO claimed
WO-2002010156-A1 BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ARPIDA AG (CH) 2002-02-07 WO claimed
US-7030130-B2 Benzofuran derivatives and their use as antibacterial agents ARPIDA AG (CH) 2006-04-18 US disclosed
EP-1307445-B1 BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ARPIDA AG (CH) 2005-12-21 EP disclosed
EP-1307445-A1 BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Arpida AG, (CH) 2003-05-07 EP disclosed
WO-2002010157-A1 BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ARPIDA AG (CH) 2002-02-07 WO disclosed
WO-2002010156-A1 BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ARPIDA AG (CH) 2002-02-07 WO disclosed