SCHEMBL365446

SCHEMBL365446

N#CCCCOC(=O)c1c2ccccc2n2cc(OCC#N)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35
G6PD P11413 1/20 0.35
PABPC1 P11940 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
TSHR P16473 2/20 0.34

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
SCHEMBL365979 0.94 ALDH1A1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL367540 0.92 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366794 0.92 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL367488 0.92 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366392 0.90 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366275 0.89 ALDH1A1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL364902 0.89 ALDH1A1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365753 0.88 ALDH1A1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366244 0.88 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL364883 0.88 ALDH1A1 (0.41) 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