SCHEMBL7708344

SCHEMBL7708344

CN(C=O)/C(N)=N\C1c2ccccc2Oc2ccc(-c3cncnc3)cc21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.32
ATM Q13315 2/20 0.32
BACE1 P56817 2/20 0.31
KCNH2 Q12809 2/20 0.31
NR3C1 P04150 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL7715200 0.90 MKNK1 (0.37) ERN1BACE1KCNH2
SCHEMBL7712995 0.87 BACE1 (0.41) BACE1KCNH2NR3C1
SCHEMBL7710842 0.87 BACE1 (0.33) BACE1KCNH2
SCHEMBL7709569 0.85 HRH2 (0.35) ATMKCNH2
SCHEMBL7710613 0.79 CYP11B1 (0.38) ERN1BACE1
SCHEMBL7712670 0.79 ERN1 (0.34) ERN1ATMBACE1KCNH2
SCHEMBL7710882 0.79 CCNC (0.38) BACE1
SCHEMBL7709563 0.78 MKNK1 (0.35) BACE1
SCHEMBL7710635 0.75 PRMT6 (0.34) BACE1
SCHEMBL7713517 0.74 CTSD (0.32) BACE1

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