SCHEMBL3712786

SCHEMBL3712786

Cc1cc(C)cc(-c2ccc(C(=O)NC(=N)NNC(N)=NC(=O)c3ccc(-c4c(C)cccc4C)o3)o2)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 15/20 0.54
S1PR4 O95977 4/20 0.38
C3AR1 Q16581 1/20 0.37

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
SCHEMBL3719309 0.87 SLC9A1 (0.57) SLC9A1S1PR4C3AR1
SCHEMBL3716474 0.85 SLC9A1 (0.55) SLC9A1S1PR4C3AR1
SCHEMBL3709278 0.85 SLC9A1 (0.59) SLC9A1C3AR1
SCHEMBL3719714 0.82 SLC9A1 (0.53) SLC9A1C3AR1
SCHEMBL3715078 0.80 SLC9A1 (0.55) SLC9A1S1PR4
SCHEMBL3719464 0.79 SLC9A1 (0.54) SLC9A1S1PR4
SCHEMBL3711058 0.79 SLC9A1 (0.53) SLC9A1
SCHEMBL3714359 0.79 SLC9A1 (0.61) SLC9A1C3AR1
SCHEMBL3713308 0.78 SLC9A1 (0.55) SLC9A1
SCHEMBL3719608 0.77 SLC9A1 (0.59) SLC9A1S1PR4C3AR1

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
WO-2010094090-A2 SYNUCLEINOPATHIES KATHOLLEKE UNIVERSITEIT LEUVEN (BE) 2010-08-26 WO claimed
WO-2010094090-A2 SYNUCLEINOPATHIES KATHOLLEKE UNIVERSITEIT LEUVEN (BE) 2010-08-26 WO disclosed