SCHEMBL5606537

SCHEMBL5606537

[O]c1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.67
APP P05067 2/20 0.67
NR4A2 P43354 1/20 0.64
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA7 P43166 1/20 0.62
CA9 Q16790 1/20 0.62
PARP10 Q53GL7 1/20 0.62
MAOA P21397 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
PTPN1 P18031 1/20 0.50

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
SCHEMBL18937890 0.83 MAOB (0.71) MAOBAPPNR4A2CA12CA1
SCHEMBL11601115 0.82 MAOB (0.69) MAOBAPPNR4A2CA12CA1
SCHEMBL3618029 0.82 MAOB (0.69) MAOBAPPNR4A2CA12CA1
SCHEMBL1578152 0.80 MAOB (1.00) MAOBAPPNR4A2CA12CA1
SCHEMBL21568939 0.80 MAOB (0.67) MAOBAPPNR4A2CA12CA1
SCHEMBL9440467 0.80 APP (1.00) MAOBAPPNR4A2
SCHEMBL20848358 0.80 MAOB (0.67) MAOBAPPNR4A2CA12CA1
SCHEMBL22874653 0.80 MAOB (0.67) MAOBAPPNR4A2CA12CA1
SCHEMBL21340442 0.80 MAOB (0.69) MAOBAPPNR4A2NPC1RAB9A
SCHEMBL9327054 0.80 MAOB (0.67) MAOBAPPNR4A2MAOANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761480-A2 NEW MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2006000324-A2 NEW MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 WO disclosed