SCHEMBL7116282

SCHEMBL7116282

O=c1oc2c(Cl)cc(Cl)cc2c(-c2ccc(Cl)cc2)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
CSNK2A3 Q8NEV1 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
ADORA3 P0DMS8 2/20 0.41
TNKS O95271 2/20 0.41
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40

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
SCHEMBL7123231 0.95 CA1 (0.44) CA1CA2CSNK2A2CSNK2BCSNK2A1
SCHEMBL7160932 0.87 NPC1 (0.46) CA1CA2ADORA3TNKSF12
SCHEMBL7124053 0.87 CYP19A1 (0.48) CA1CA2CSNK2A2CSNK2BCSNK2A1
SCHEMBL3067421 0.84 ERAP1 (0.52) CA1CA2CSNK2A2CSNK2BCSNK2A1
SCHEMBL7117856 0.82 TP53 (0.44) CA1CA2CSNK2A2CSNK2BCSNK2A1
SCHEMBL7122361 0.81 CA1 (0.59) CA1CA2ESR1ESR2ADORA3
SCHEMBL7119204 0.77 CA1 (0.62) CA1CA2ESR1ESR2ADORA3
SCHEMBL19665839 0.75 CSNK2A2 (0.50) CA1CA2CSNK2A2CSNK2BCSNK2A1
SCHEMBL11785991 0.74 NPSR1 (0.49) CA1CA2CSNK2A2CSNK2BCSNK2A1
SCHEMBL7165990 0.73 ESR1 (0.74) CA1CA2ESR1ESR2CA12

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