SCHEMBL7124793

SCHEMBL7124793

O=c1oc2cc(O)ccc2cc1-c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 11/20 1.00
ESR2 Q92731 3/20 0.82
RAB9A P51151 3/20 0.74
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
ALDH1A1 P00352 3/20 0.74
HPGD P15428 3/20 0.74
GAA P10253 2/20 0.74
KDM4E B2RXH2 2/20 0.74
GLA P06280 2/20 0.74
TDP1 Q9NUW8 2/20 0.74
POLB P06746 1/20 0.74
NPSR1 Q6W5P4 1/20 0.74
NPC1 O15118 4/20 0.73
PTGS1 P23219 1/20 0.70
ERAP1 Q9NZ08 2/20 0.68
RXFP1 Q9HBX9 1/20 0.68
SIRT3 Q9NTG7 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.61
ESR1 P03372 1/20 0.61

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
SCHEMBL30023180 1.00 MIF (1.00) MIFESR2RAB9AMEN1KMT2A
SCHEMBL2166723 0.91 ESR2 (1.00) MIFESR2RAB9AMEN1KMT2A
SCHEMBL1325165 0.85 MIF (1.00) MIFESR2RAB9AMEN1KMT2A
SCHEMBL8934492 0.85 ESR2 (0.82) MIFESR2RAB9AMEN1KMT2A
SCHEMBL14549127 0.85 ESR2 (0.82) MIFESR2RAB9AMEN1KMT2A
SCHEMBL591688 0.84 MIF (1.00) MIFESR2RAB9AMEN1KMT2A
SCHEMBL8117543 0.84 MIF (1.00) MIFESR2RAB9AMEN1KMT2A
SCHEMBL8118640 0.83 PON1 (0.73) MIFESR2RAB9AMEN1KMT2A
SCHEMBL28142014 0.83 PTGS1 (1.00) MIFESR2RAB9AMEN1KMT2A
SCHEMBL7123294 0.82 MIF (0.72) MIFESR2RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003504327-A 2003-02-04 JP claimed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 EP claimed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 WO claimed
WO-2020130120-A1 CANCER METASTASIS INHIBITOR 学校法人京都薬科大学 2020-06-25 WO disclosed
US-6555523-B1 Such as 3',4'-diacetoxy-5,6,7-trimethoxyflavone or naringin in the treatment HIV, picornavirus, and/or respiratory virus CASCADE ESTATES LTD. (MU) 2003-04-29 US disclosed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 EP disclosed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 WO disclosed