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SCHEMBL15948812

SCHEMBL15948812

CCCCc1cc(N(CCOC)CCOC)cc2c1Nc1ccc(N(CCOC)CCOC)cc1S2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 1/20 0.35
▸ NOX1 Q9Y5S8 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL5725873 0.86 SNCA (0.41) SNCANOX1MEN1LMNAGAA
SCHEMBL12812986 0.83 SNCA (0.47) SNCANOX1MEN1LMNAGAA
SCHEMBL15948227 0.81 SNCA (0.35) SNCANOX1MEN1LMNAGAA
SCHEMBL15948223 0.79 CRHR1 (0.35) SNCANOX1MEN1LMNAGAA
SCHEMBL15948217 0.77 — —
SCHEMBL11763196 0.77 SNCA (0.41) SNCANOX1MEN1LMNAGAA
SCHEMBL15948197 0.75 CRHR1 (0.40) SNCAMAPT
SCHEMBL12813044 0.75 SNCA (0.32) SNCA
SCHEMBL1472458 0.74 SNCA (0.39) SNCANOX1MEN1LMNAGAA
SCHEMBL1472499 0.74 SNCA (0.39) SNCANOX1MEN1LMNAGAA

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
US-8809317-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-08-19 — — US claimed