SCHEMBL366915

SCHEMBL366915

CCOc1cccc(CCOc2cc(OCC#N)cn3c2c(C#N)c2ccccc23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
HTR6 P50406 1/20 0.35
POLB P06746 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 5/20 0.34
HTT P42858 4/20 0.34
LMNA P02545 4/20 0.34
TSHR P16473 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
USP2 O75604 1/20 0.33
CHRM2 P08172 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
SCHEMBL365402 0.91 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365103 0.90 MAPT (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL367347 0.86 KMT2A (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL367691 0.86 ACHE (0.40) POLBMEN1KMT2AMAPK1ALDH1A1
SCHEMBL367249 0.85 MEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366695 0.84 MKNK1 (0.41) POLBALDH1A1MAPTHTTLMNA
SCHEMBL366914 0.79 ALDH1A1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366565 0.77 ALDH1A1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366816 0.77 KMT2A (0.37) POLBMEN1KMT2AMAPK1ALDH1A1
SCHEMBL366618 0.77 MEN1 (0.37) POLBMEN1KMT2AMAPK1ALDH1A1

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