SCHEMBL26065673

SCHEMBL26065673

O=S(=O)(c1cnc(C(F)(F)F)cc1C1CC1)N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.40
PSEN2 P49810 11/20 0.40
APH1B Q8WW43 11/20 0.40
NCSTN Q92542 11/20 0.40
APH1A Q96BI3 11/20 0.40
PSENEN Q9NZ42 11/20 0.40
CYP17A1 P05093 4/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM5 P08912 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 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
SCHEMBL26065671 0.82 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26065720 0.79 ALDH1A1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26065669 0.78 TGM2 (0.48)
Trifluoroacetic Acid SCHEMBL25371870 0.77 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26065675 0.77 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoroacetic Acid SCHEMBL30567069 0.77 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26065680 0.77 GCK (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25370044 0.76 CYP17A1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26066081 0.74 MAPT (0.43) USP2ALDH1A1CYP3A4TSHRNFKB1
SCHEMBL26065665 0.73 PSEN1 (0.40) 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-2023164063-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-08-31 WO disclosed