SCHEMBL8358699

SCHEMBL8358699

O=C(NCCO)OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 15/20 1.00
PSEN2 P49810 15/20 1.00
APH1B Q8WW43 15/20 1.00
NCSTN Q92542 15/20 1.00
APH1A Q96BI3 15/20 1.00
PSENEN Q9NZ42 15/20 1.00
APP P05067 6/20 0.65

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
SCHEMBL8358695 0.94 PSEN1 (0.88) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8358697 0.93 PSEN1 (0.86) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8358712 0.91 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8354702 0.90 PSEN1 (0.88) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8359153 0.89 PSEN1 (0.89) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8358115 0.88 PSEN1 (0.87) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8359164 0.88 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8355014 0.87 PSEN1 (0.81) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8358717 0.87 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8359138 0.87 PSEN1 (0.77) 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
WO-2003014075-A2 NOVEL GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2003-02-20 WO disclosed