SCHEMBL7124530

SCHEMBL7124530

O=c1oc2ccccc2c(-c2ccccc2)c1-c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1R P00736 1/20 0.46
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
ADORA3 P0DMS8 2/20 0.45
CYP2A6 P11509 1/20 0.43
MAOB P27338 3/20 0.42
CYP19A1 P11511 2/20 0.42
PIM1 P11309 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
NMUR2 Q9GZQ4 1/20 0.41
MAOA P21397 1/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 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
SCHEMBL7122395 0.86 CA1 (0.48) CA1CA2ADORA3MAOBMAOA
SCHEMBL7117111 0.84 ERAP1 (0.49) C1RCA1CA2MAOBPIM1
SCHEMBL31675804 0.84 ERAP1 (0.62) CA1CA2MAOBCYP19A1MAOA
SCHEMBL7164709 0.84 ERAP1 (0.62) CA1CA2MAOBCYP19A1MAOA
SCHEMBL1800595 0.84 CA1 (0.56) CA1CA2ADORA3MAOBCYP19A1
SCHEMBL7165936 0.81 ERAP1 (0.46) CA1CA2RAB9AKDM4EALDH1A1
SCHEMBL7125137 0.81 CYP19A1 (0.57) CA1CA2CYP19A1PIM1CSNK2A2
SCHEMBL7125098 0.80 ESR1 (0.55) C1RMAOBPIM1CSNK2A2CSNK2B
SCHEMBL7123286 0.78 ALDH1A1 (0.54) MAOBCYP19A1GAAMAOARAB9A
SCHEMBL2331449 0.78 ADORA3 (0.63) CA1CA2ADORA3GAANMUR2

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