SCHEMBL7121658

SCHEMBL7121658

Cc1c(-c2ccc(Cl)cc2)c(=O)oc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
ERAP1 Q9NZ08 1/20 0.54
TNKS O95271 1/20 0.51
MAOB P27338 2/20 0.49
RET P07949 1/20 0.49
KDM4E B2RXH2 3/20 0.49
CA9 Q16790 1/20 0.48
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NQO1 P15559 1/20 0.46
CYP19A1 P11511 1/20 0.44
ALDH1A1 P00352 2/20 0.44
STAT1 P42224 1/20 0.44
RAB9A P51151 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL4449250 0.87 ERAP1 (0.68) CA1CA2ERAP1TNKSMAOB
SCHEMBL7124859 0.84 CA1 (0.56) CA1CA2ERAP1TNKSMAOB
SCHEMBL7460755 0.82 ERAP1 (0.55) CA1CA2ERAP1MAOBKDM4E
SCHEMBL7117054 0.82 MAOB (0.72) CA1CA2ERAP1TNKSMAOB
SCHEMBL28721778 0.82 ERAP1 (0.51) ERAP1TNKSMAOBKDM4ECA9
SCHEMBL7152314 0.80 CA12 (0.45) CA1CA2ERAP1MAOBKDM4E
SCHEMBL7127360 0.80 ERAP1 (0.75) ERAP1CA9NPC1ESR1ESR2
SCHEMBL13713069 0.80 ERAP1 (0.52) CA1CA2ERAP1MAOBKDM4E
SCHEMBL7113499 0.80 ESR2 (0.60) ERAP1TNKSMAOBKDM4ECA9
SCHEMBL29473710 0.79 EP300 (0.63) ERAP1MAOBKDM4ECA9NPC1

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