SCHEMBL381852

SCHEMBL381852

O=C(CCCC(F)(F)F)NN(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 9/20 0.65
PSEN2 P49810 9/20 0.65
APH1B Q8WW43 9/20 0.65
NCSTN Q92542 9/20 0.65
APH1A Q96BI3 9/20 0.65
PSENEN Q9NZ42 9/20 0.65
RORC P51449 2/20 0.37
LMNA P02545 5/20 0.36
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KAT6A Q92794 1/20 0.34
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
RORA P35398 1/20 0.33
RORB Q92753 1/20 0.33
HCRTR1 O43613 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
Avagacestat SCHEMBL310019 0.78 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
Avagacestat SCHEMBL381851 0.78 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
Avagacestat SCHEMBL29392347 0.78 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11939689 0.76 PSEN1 (0.87) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7871814 0.72 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29029455 0.71 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
Avagacestat SCHEMBL12227575 0.71 PSEN1 (0.85) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL462471 0.70 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL374555 0.70 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2200015 0.70 PSEN1 (0.54) 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
EP-2408757-A1 NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUNDS INCORPORATING DEUTERIUM AS INHIBITORS OF BETA AMYLOID PEPTIDE PRODUCTION A NOVEL ALPHA-(N-SULFONAMIDO) ACETAMIDE COMPOUND INCORPORATING DEUTERIUM AS INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION Bristol-Myers Squibb Company (US) 2012-01-25 EP disclosed