SCHEMBL367591

SCHEMBL367591

CC#CC(C)OC(=O)c1c2ccccc2n2cc(OCC#N)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ALDH1A1 P00352 4/20 0.33
HK1 P19367 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
KMT2A Q03164 3/20 0.33
ADAM17 P78536 5/20 0.33
KDM4E B2RXH2 2/20 0.32
SLC2A1 P11166 1/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
APAF1 O14727 1/20 0.32
G6PD P11413 1/20 0.32
PABPC1 P11940 1/20 0.32
CACNA1B Q00975 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
SCHEMBL365333 0.90 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL367500 0.89 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL364154 0.89 MAPT (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366697 0.89 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366826 0.87 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366083 0.86 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL367128 0.85 ALDH1A1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366403 0.85 KDM4E (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366259 0.85 ALDH1A1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL367590 0.85 ALDH1A1 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed