SCHEMBL9857346

SCHEMBL9857346

O=C1C(O)=C(C2CCCC2)C(=O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 2/20 0.54
TDP2 O95551 2/20 0.54
MAPT P10636 6/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
TP53 P04637 2/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
USP2 O75604 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
HIF1A Q16665 1/20 0.51
PTPN1 P18031 2/20 0.50
PTPRC P08575 2/20 0.49
CDC25B P30305 2/20 0.49
PTPRF P10586 1/20 0.49
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 3/20 0.44
MAPK1 P28482 3/20 0.44

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
Parvaquone SCHEMBL916441 0.98 APAF1 (0.52) APAF1TDP2MAPTMEN1KMT2A
SCHEMBL11120067 0.98 APAF1 (0.52) APAF1TDP2MAPTMEN1KMT2A
Parvaquone SCHEMBL31326459 0.98 APAF1 (0.52) APAF1TDP2MAPTMEN1KMT2A
SCHEMBL11121475 0.98 APAF1 (0.52) APAF1TDP2MAPTMEN1KMT2A
SCHEMBL11116588 0.98 APAF1 (0.52) APAF1TDP2MAPTMEN1KMT2A
SCHEMBL16363681 0.91 MAPT (0.57) APAF1TDP2MAPTMEN1KMT2A
SCHEMBL9579933 0.89 MAPT (0.49) APAF1TDP2MAPTMEN1KMT2A
SCHEMBL29360603 0.86 MAPT (0.64) APAF1TDP2MAPTMEN1KMT2A
SCHEMBL16621117 0.86 MAPT (0.64) APAF1TDP2MAPTMEN1KMT2A
SCHEMBL8136452 0.84 MAPT (0.51) APAF1TDP2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0002228-A2 Hydroxy naphthoquinone derivatives, their preparations for treating and preventing theileriosis in cattle and sheep, processes for their synthesis; naphthoquinone derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1979-06-13 EP claimed
US-5053418-A Synergistic mixture of 2-(4,-(4-chlorophenyl)cyclohexyl)3-hydr oxy-1,4 napthoquinone and 3,5-dichloro-2,6 dichloropyridinol BURROUGHS WELLCOME CO. (US) 1991-10-01 US disclosed
EP-0123239-B1 IMPROVEMENTS IN OR RELATING TO ANTIPROTOZOAL AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-11 EP disclosed
EP-0401875-A2 Improvements in or relating to antiprotozoal agents THE WELLCOME FOUNDATION LIMITED (GB) 1990-12-12 EP disclosed
EP-0123239-A2 Improvements in or relating to antiprotozoal agents THE WELLCOME FOUNDATION LIMITED (GB) 1984-10-31 EP disclosed