SCHEMBL365402

SCHEMBL365402

CCOc1ccc(CCOc2cc(OCC#N)cn3c2c(C#N)c2ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
KMT2A Q03164 5/20 0.35
L3MBTL1 Q9Y468 5/20 0.35
MEN1 O00255 4/20 0.35
POLB P06746 3/20 0.35
MAPK1 P28482 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PABPC1 P11940 2/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
HTT P42858 6/20 0.35
MAPT P10636 6/20 0.35
LMNA P02545 5/20 0.35
TSHR P16473 3/20 0.35

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
SCHEMBL365103 0.91 MAPT (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366915 0.91 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366565 0.85 ALDH1A1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366816 0.85 KMT2A (0.37) KMT2AL3MBTL1MEN1POLBMAPK1
SCHEMBL365786 0.85 ALDH1A1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366695 0.83 MKNK1 (0.41) POLBALDH1A1NPSR1HTTMAPT
SCHEMBL365401 0.79 MEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366906 0.77 HTT (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366073 0.77 ALKBH1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL367347 0.77 KMT2A (0.38) 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-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed