SCHEMBL14280401

SCHEMBL14280401

C#COc1ccc2c(=O)c3ccc(OCC)cc3n(CCCC)c2c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 14/20 0.45
PSEN2 P49810 14/20 0.45
APH1B Q8WW43 14/20 0.45
NCSTN Q92542 14/20 0.45
APH1A Q96BI3 14/20 0.45
PSENEN Q9NZ42 14/20 0.45
DYRK1A Q13627 1/20 0.41
CNR2 P34972 3/20 0.40
CNR1 P21554 2/20 0.40
PDE5A O76074 1/20 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
SCHEMBL14315154 0.90 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14280402 0.78 KDM4E (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14160816 0.78 DYRK1A (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14280397 0.77 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14160813 0.74 KDM4E (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14160792 0.73 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14315155 0.71 KDM4E (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14280398 0.69 PGR (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30982816 0.68 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31041790 0.68 PSEN1 (0.43) 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
US-20080020323-A1 Light sensitive planographic printing plate material KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2008-01-24 US disclosed