SCHEMBL4287166

SCHEMBL4287166

O=C(OCc1c(Cl)c[nH]c(=O)c1I)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 2/20 0.39
PPARG P37231 1/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL4289789 0.77 NPSR1 (0.46) TDP1SLC6A2SLC6A3KMT2AMAPK1
SCHEMBL4287192 0.73 MAPK1 (0.50) TDP1SLC6A2SLC6A3KMT2AMAPK1
SCHEMBL14062584 0.70 ALDH1A1 (0.62) TDP1SLC6A2SLC6A3KMT2AMAPK1
SCHEMBL4645175 0.68 TDP1 (0.66) TDP1SLC6A2SLC6A3KMT2AMAPK1
SCHEMBL29853739 0.68 TDP1 (0.66) TDP1SLC6A2SLC6A3KMT2AMAPK1
SCHEMBL5421974 0.67 L3MBTL1 (0.72) TDP1SLC6A2SLC6A3KMT2AMAPK1
SCHEMBL28982407 0.67 PPARG (0.61) TDP1SLC6A2SLC6A3KMT2AMAPK1
SCHEMBL20625633 0.66 TDP1 (0.49) TDP1SLC6A2SLC6A3KMT2AMAPK1
SCHEMBL28758281 0.66 TDP1 (0.61) TDP1SLC6A2SLC6A3KMT2AMAPK1
SCHEMBL501408 0.65 TDP1 (0.51) TDP1SLC6A2SLC6A3KMT2AMAPK1

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
WO-2009158258-A1 HERBICIDAL DIHYDRO OXO SIX-MEMBERED AZINYL ISOXAZOLINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-12-30 WO disclosed