SCHEMBL7125217

SCHEMBL7125217

Cc1ccc2oc(=O)c(-c3ccc(Cl)cc3Cl)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 19/20 0.60
ADORA3 P0DMS8 1/20 0.60
MAOA P21397 4/20 0.57
KDM4E B2RXH2 1/20 0.54
KMT2A Q03164 1/20 0.54
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51

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
SCHEMBL7119199 0.89 MAOB (0.56) MAOBADORA3MAOAKDM4EKMT2A
SCHEMBL7117863 0.81 KDM4E (0.60) MAOBKDM4EKMT2A
SCHEMBL23332350 0.78 MAOB (0.68) MAOBADORA3MAOACA1CA2
SCHEMBL7114418 0.75 ESR2 (0.55) MAOBADORA3MAOAKDM4EKMT2A
SCHEMBL13857249 0.74 MAOB (0.69) MAOBKDM4EKMT2ACA1CA2
SCHEMBL7123294 0.74 MIF (0.72) MAOBKDM4EKMT2A
SCHEMBL7123865 0.74 NPC1 (0.60) MAOBMAOAKDM4EKMT2ACA1
SCHEMBL28585966 0.72 MAOB (1.00) MAOBADORA3MAOA
SCHEMBL7169838 0.72 MAPT (0.49) MAOBADORA3MAOACA1CA2
SCHEMBL17857216 0.71 MAOB (0.63) MAOBADORA3MAOA

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 5 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
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