SCHEMBL462471

SCHEMBL462471

NC(=O)[C@@H](CCC(F)(F)F)[As](Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 19/20 0.68
PSEN2 P49810 19/20 0.68
APH1B Q8WW43 19/20 0.68
NCSTN Q92542 19/20 0.68
APH1A Q96BI3 19/20 0.68
PSENEN Q9NZ42 19/20 0.68
RORC P51449 1/20 0.37

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
Avagacestat SCHEMBL381851 0.81 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
Avagacestat SCHEMBL310019 0.81 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
Avagacestat SCHEMBL29392347 0.81 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11939689 0.77 PSEN1 (0.87) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7871814 0.76 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL379111 0.74 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
Avagacestat SCHEMBL12227575 0.73 PSEN1 (0.85) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15062259 0.72 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1464862 0.71 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1464859 0.71 PSEN1 (0.76) 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
EP-2408450-A1 A NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION Bristol-Myers Squibb Company (US) 2012-01-25 EP disclosed
WO-2010107435-A1 A NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-23 WO disclosed