SCHEMBL7123949

SCHEMBL7123949

Cc1c(-c2ccc(Br)cc2)c(=O)oc2c(Cl)cc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40
CSNK2A1 P68400 2/20 0.40
POLB P06746 3/20 0.40
CTDSP1 Q9GZU7 2/20 0.40
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
ESR2 Q92731 2/20 0.39
MAPK1 P28482 1/20 0.39
DUSP3 P51452 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38

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
SCHEMBL12813584 0.91 ESR2 (0.42) POLBCTDSP1MEN1BLMKMT2A
SCHEMBL7117856 0.90 TP53 (0.44) CSNK2A2CSNK2BCSNK2A1POLBCTDSP1
SCHEMBL3067421 0.85 ERAP1 (0.52) CSNK2A2CSNK2BCSNK2A1POLBMEN1
SCHEMBL7123870 0.83 NPC1 (0.56) CSNK2A2CSNK2BCSNK2A1POLBMEN1
SCHEMBL5085541 0.82 ERAP1 (0.47) POLBMEN1BLMKMT2AESR2
SCHEMBL5427855 0.78 ERAP1 (0.48) POLBBLMESR2MAPK1KDM4E
SCHEMBL7122390 0.78 PSMB8 (0.45) CSNK2A2CSNK2BCSNK2A1POLBMEN1
SCHEMBL7152314 0.76 CA12 (0.45) CSNK2A2CSNK2BCSNK2A1KMT2AESR2
SCHEMBL7122328 0.75 ESR1 (0.46) CSNK2A2CSNK2BESR2AHRKCNA3
SCHEMBL12813514 0.74 GABRP (0.45) MEN1KMT2AESR2KDM4EMAPT

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