SCHEMBL7122390

SCHEMBL7122390

Cc1cc2oc(=O)c(-c3ccc(Br)cc3)c(C)c2cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
NPC1 O15118 3/20 0.44
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 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
SCHEMBL7155848 0.89 ERAP1 (0.47) ERAP1NPC1ESR1ESR2KDM4E
SCHEMBL7123285 0.84 NPC1 (0.64) NPC1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL7152314 0.80 CA12 (0.45) PSMB8ERAP1NPC1ESR2KDM4E
SCHEMBL7115934 0.79 ESR1 (0.47) ERAP1NPC1ESR1ESR2MAOA
SCHEMBL14925294 0.78 ALDH1A1 (0.44) NPC1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL12813584 0.78 ESR2 (0.42) PSMB8ERAP1NPC1ESR1ESR2
SCHEMBL7123949 0.78 CSNK2A2 (0.40) PSMB8ERAP1NPC1ESR1ESR2
SCHEMBL3079215 0.77 ERAP1 (0.63) PSMB8ERAP1NPC1ESR1ESR2
SCHEMBL5161656 0.77 ERAP1 (0.59) ERAP1NPC1ESR1ESR2KDM4E
SCHEMBL7113502 0.77 ERAP1 (0.75) ERAP1NPC1ESR1ESR2KDM4E

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