SCHEMBL8040134

SCHEMBL8040134

COc1cc(-c2ccc(N3CCN(c4ccccc4)CC3)nn2)ccc1-n1cnc(C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 19/20 0.59
PSEN2 P49810 19/20 0.59
APH1B Q8WW43 19/20 0.59
NCSTN Q92542 19/20 0.59
APH1A Q96BI3 19/20 0.59
PSENEN Q9NZ42 19/20 0.59
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
KMT2A Q03164 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KCNH2 Q12809 2/20 0.50

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
Hydrochloric Acid SCHEMBL3975929 0.99 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8054754 0.92 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL4409066 0.91 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8058022 0.88 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8054241 0.88 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL3976010 0.87 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL3978996 0.87 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8057493 0.86 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8053608 0.85 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL3980348 0.85 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A

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-2009050227-A1 PYRIDAZINE DERIVATIVES FOR INHIBITING BETA AMYLOID PEPTIDE PRODUCTION GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed