SCHEMBL7124845

SCHEMBL7124845

O=c1oc2ccccc2cc1-c1ccccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.70
ALDH1A1 P00352 4/20 0.62
MAOB P27338 4/20 0.62
KDM4E B2RXH2 4/20 0.62
RAB9A P51151 3/20 0.62
LMNA P02545 2/20 0.58
HPGD P15428 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 2/20 0.55
GAA P10253 2/20 0.55
GAPDH P04406 2/20 0.55
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 5/20 0.54
TP53 P04637 2/20 0.54
GLA P06280 2/20 0.54
PKM P14618 1/20 0.54

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
SCHEMBL29517170 0.87 RAB9A (0.78) ALDH1A1MAOBKDM4ERAB9ALMNA
SCHEMBL7117863 0.85 KDM4E (0.60) MIFALDH1A1MAOBKDM4ERAB9A
SCHEMBL7117970 0.83 MIF (1.00) MIFALDH1A1KDM4ERAB9ALMNA
SCHEMBL28032529 0.80 MEN1 (0.48) MIFALDH1A1MAOBKDM4ERAB9A
SCHEMBL3082095 0.80 MAOB (0.63) ALDH1A1MAOBKDM4ERAB9ALMNA
SCHEMBL7160713 0.79 NPC1 (0.69) MIFALDH1A1MAOBKDM4ERAB9A
SCHEMBL31156818 0.79 MAOB (0.73) ALDH1A1MAOBKDM4ERAB9ALMNA
SCHEMBL31156822 0.79 MAOB (0.73) ALDH1A1MAOBKDM4ERAB9ALMNA
SCHEMBL28590374 0.79 MAOB (0.70) ALDH1A1MAOBKDM4ERAB9ALMNA
SCHEMBL4970506 0.79 MAOB (0.62) ALDH1A1MAOBKDM4ERAB9ALMNA

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 6 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
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