SCHEMBL7713121

SCHEMBL7713121

COCN(C)/C(N)=N\C1c2cc(OCC(F)F)ccc2Oc2ccc(-c3cccnc3F)cc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.38
CTSD P07339 5/20 0.38
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
BACE2 Q9Y5Z0 2/20 0.32
KCNH2 Q12809 3/20 0.32
GSK3B P49841 1/20 0.31
SCN9A Q15858 2/20 0.31
SCN5A Q14524 1/20 0.31

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
SCHEMBL7715226 0.76 BACE1 (0.37) BACE1CTSDBACE2GSK3B
SCHEMBL7705409 0.75 BACE1 (0.45) BACE1CTSDBACE2KCNH2GSK3B
SCHEMBL7705408 0.72 BACE1 (0.35) BACE1CTSDKCNH2
SCHEMBL7705399 0.68 BACE1 (0.35) BACE1CTSDBACE2SCN9A
SCHEMBL2573986 0.65 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL7712995 0.61 BACE1 (0.41) BACE1CTSDBACE2KCNH2
SCHEMBL7710882 0.58 CCNC (0.38) BACE1CTSD
SCHEMBL2371171 0.58 BACE1 (0.63) BACE1CTSDBACE2KCNH2
SCHEMBL7704729 0.58 MKNK1 (0.39) BACE1PRMT5WDR77KCNH2
SCHEMBL7715200 0.58 MKNK1 (0.37) BACE1KCNH2

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-2011130741-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-20 WO disclosed