SCHEMBL26065665

SCHEMBL26065665

O=S(=O)(c1cnc(C(F)(F)F)cc1C1CC1)N1CC2(CN(C3CCOCC3)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 14/20 0.40
PSEN2 P49810 14/20 0.40
APH1B Q8WW43 14/20 0.40
NCSTN Q92542 14/20 0.40
APH1A Q96BI3 14/20 0.40
PSENEN Q9NZ42 14/20 0.40
JAK2 O60674 1/20 0.32
CYP17A1 P05093 1/20 0.32
HPGD P15428 1/20 0.31
TGFBR1 P36897 1/20 0.31
SCN9A Q15858 1/20 0.31
TRPV4 Q9HBA0 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
SCHEMBL30567040 0.88 CNR2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25371598 0.88 CNR2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25370144 0.87 MEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25370833 0.85 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25370274 0.85 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30567061 0.85 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30567047 0.85 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26065682 0.85 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26065671 0.81 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31416565 0.80 LRRK2 (0.35) 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