SCHEMBL7125098

SCHEMBL7125098

Cc1c(-c2ccccc2Cl)c(=O)oc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.55
ESR2 Q92731 2/20 0.55
KDM4E B2RXH2 4/20 0.49
PIM1 P11309 2/20 0.46
CSNK2A2 P19784 2/20 0.46
CSNK2B P67870 2/20 0.46
PIM3 Q86V86 2/20 0.46
PIM2 Q9P1W9 2/20 0.46
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
ERAP1 Q9NZ08 1/20 0.43
C1R P00736 1/20 0.43
MAOB P27338 1/20 0.43
MAOA P21397 2/20 0.43
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
NMUR2 Q9GZQ4 1/20 0.42
KCNA3 P22001 1/20 0.41

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
SCHEMBL7113499 0.85 ESR2 (0.60) ESR1ESR2KDM4ECA9ERAP1
SCHEMBL7116317 0.85 PIM1 (0.54) ESR1ESR2KDM4EPIM1CSNK2A2
SCHEMBL7462068 0.85 ESR1 (0.60) ESR1ESR2KDM4EPIM1CSNK2A2
SCHEMBL7164607 0.85 MAOA (0.56) ESR1ESR2KDM4EPIM1CSNK2A2
SCHEMBL14277756 0.84 ESR1 (0.52) ESR1ESR2KDM4EERAP1MAOB
SCHEMBL7116288 0.83 ESR2 (0.81) ESR1ESR2KDM4ECA12CA9
SCHEMBL7120589 0.82 ESR2 (0.53) ESR1ESR2CA12CA9ERAP1
SCHEMBL7121802 0.81 ALDH1A1 (0.64) ESR1ESR2KDM4EPIM1CSNK2A2
SCHEMBL7124530 0.80 C1R (0.46) KDM4EPIM1CSNK2A2CSNK2BPIM3
SCHEMBL7122328 0.79 ESR1 (0.46) ESR1ESR2PIM1CSNK2A2CSNK2B

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