SCHEMBL6917595

SCHEMBL6917595

Nc1ccccc1COc1ccc(Br)cc1C(=O)Nc1cccnc1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 13/20 0.79
SGMS2 Q8NHU3 7/20 0.60

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
SCHEMBL10322582 0.88 LRRK2 (1.00) LRRK2SGMS2
SCHEMBL1648231 0.88 LRRK2 (1.00) LRRK2SGMS2
SCHEMBL25137136 0.87 SGMS2 (0.78) SGMS2
SCHEMBL6918808 0.87 LRRK2 (0.77) LRRK2SGMS2
SCHEMBL1647580 0.85 LRRK2 (1.00) LRRK2SGMS2
SCHEMBL1649416 0.85 SGMS2 (0.79) LRRK2SGMS2
SCHEMBL6918129 0.85 LRRK2 (0.83) LRRK2SGMS2
SCHEMBL1646692 0.82 LRRK2 (0.82) LRRK2SGMS2
SCHEMBL1647479 0.81 LRRK2 (1.00) LRRK2SGMS2
SCHEMBL6917887 0.81 LRRK2 (0.83) LRRK2SGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 WO disclosed