SCHEMBL5758048

SCHEMBL5758048

CCC(C)C(CO)NS(=O)(=O)c1sc(Cl)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
CCKBR P32239 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 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
SCHEMBL1168653 1.00 CCR4 (0.39) CCR4PSEN1PSEN2APH1BNCSTN
SCHEMBL5758335 0.81 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1169189 0.81 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1169403 0.81 CDK1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2886949 0.80 PSEN1 (0.62) CCR4PSEN1PSEN2APH1BNCSTN
SCHEMBL1169647 0.76 PSEN1 (0.64) CCR4PSEN1PSEN2APH1BNCSTN
SCHEMBL5758655 0.76 PSEN1 (0.64) CCR4PSEN1PSEN2APH1BNCSTN
SCHEMBL5757470 0.76 PSEN1 (0.64) CCR4PSEN1PSEN2APH1BNCSTN
SCHEMBL1169173 0.76 PSEN1 (0.64) CCR4PSEN1PSEN2APH1BNCSTN
SCHEMBL1169218 0.75 PSEN1 (0.41) CCR4PSEN1PSEN2APH1BNCSTN

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-1341779-B1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH CORP (US) 2006-06-21 EP claimed