SCHEMBL7122328

SCHEMBL7122328

Cc1c(-c2ccccc2Cl)c(=O)oc2c(Cl)cc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
KCNA3 P22001 3/20 0.42
MAOA P21397 1/20 0.40
CYP1A1 P04798 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP1B1 Q16678 3/20 0.39
AHR P35869 4/20 0.39
C1R P00736 1/20 0.38
PIM1 P11309 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
WEE1 P30291 1/20 0.38
F12 P00748 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
SCHEMBL3067421 0.84 ERAP1 (0.52) KCNA3CYP1A1CYP1A2CYP1B1CSNK2A2
SCHEMBL7164607 0.83 MAOA (0.56) ESR1ESR2CA12CA9KCNA3
SCHEMBL7117856 0.79 TP53 (0.44) ESR1ESR2CA12CA9KCNA3
SCHEMBL7125098 0.79 ESR1 (0.55) ESR1ESR2CA12CA9KCNA3
SCHEMBL7120589 0.77 ESR2 (0.53) ESR1ESR2CA12CA9KCNA3
SCHEMBL7462068 0.77 ESR1 (0.60) ESR1ESR2CA12CA9MAOA
SCHEMBL7116317 0.77 PIM1 (0.54) ESR1ESR2CA12CA9MAOA
SCHEMBL7123949 0.75 CSNK2A2 (0.40) ESR1ESR2KCNA3AHRCSNK2A2
SCHEMBL7116288 0.75 ESR2 (0.81) ESR1ESR2CA12CA9
SCHEMBL11785991 0.74 NPSR1 (0.49) ESR2CA12CA9CYP1A2AHR

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