SCHEMBL7708820

SCHEMBL7708820

CN(C=O)/C(N)=N\C1c2ccccc2Oc2ccc(-c3cncc(F)c3)cc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.33
KCNH2 Q12809 1/20 0.31
CTSD P07339 1/20 0.31
FFAR2 O15552 1/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL7710842 0.87 BACE1 (0.33) BACE1KCNH2
SCHEMBL7715200 0.87 MKNK1 (0.37) BACE1KCNH2CYP11B1CYP11B2
SCHEMBL7709563 0.84 MKNK1 (0.35) BACE1CTSDCYP11B1CYP11B2
SCHEMBL7706611 0.83 MKNK1 (0.39) BACE1KCNH2CYP11B1CYP11B2IRAK4
SCHEMBL7709569 0.82 HRH2 (0.35) KCNH2ATM
SCHEMBL7712670 0.80 ERN1 (0.34) BACE1KCNH2CYP11B2ATM
SCHEMBL7711538 0.78 MKNK1 (0.33) BACE1
SCHEMBL7710635 0.78 PRMT6 (0.34) BACE1CTSD
SCHEMBL7711537 0.77
SCHEMBL7712995 0.77 BACE1 (0.41) BACE1KCNH2CTSDCYP11B1CYP11B2

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