SCHEMBL25317014

SCHEMBL25317014

O=S(=O)(c1ccc(OC(F)F)cc1)N1[C@@H]2CCC[C@H]1CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACHE P22303 5/20 0.42
KDM2B Q8NHM5 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
DHCR7 Q9UBM7 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD11B1 P28845 2/20 0.39
ESR1 P03372 1/20 0.38

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
SCHEMBL25316554 0.89 PTGDR2 (0.41) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL25317238 0.85 ALDH1A1 (0.41) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL25317874 0.84 ALDH1A1 (0.43) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL25890398 0.84 ALDH1A1 (0.43) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL25315976 0.84 ALDH1A1 (0.43) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL25315988 0.84 ALDH1A1 (0.43) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL25426319 0.84 ALDH1A1 (0.43) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL25426315 0.84 ALDH1A1 (0.43) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL25891624 0.83 PTGDR2 (0.40) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL27345604 0.81 ALDH1A1 (0.47) ALDH1A1PSEN1PSEN2APH1BNCSTN

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-2023141323-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-07-27 WO claimed