SCHEMBL5731475

SCHEMBL5731475

CCCCn1nccc1C(O)C(CC)CCN(C(c1ccnn1CCCC)C(CC)CC)S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR6 P50406 1/20 0.31

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
SCHEMBL5731470 0.78 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3322175 0.73 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3319960 0.72 MAPK1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3320494 0.66 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3318197 0.60 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16815763 0.60 SLC9A1 (0.37) MEN1KMT2ASMN1; SMN2
SCHEMBL16815888 0.60 SLC9A1 (0.37) MEN1KMT2ASMN1; SMN2
SCHEMBL16816443 0.60 SLC9A1 (0.37) MEN1KMT2ASMN1; SMN2
SCHEMBL16894083 0.58 NPC1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16004949 0.57 PSEN1 (0.39) 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-1709003-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE Wyeth (US) 2006-10-11 EP disclosed
WO-2005073198-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH (US) 2005-08-11 WO disclosed