SCHEMBL26065137

SCHEMBL26065137

O=S(=O)(c1cc(C(F)(F)F)nn1CC1CC1)N1CCN(C2CCOCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 5/20 0.38
▸ HPGD P15428 1/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ DDR1 Q08345 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL26065141 0.89 EBP (0.38) KCNH2
SCHEMBL25371509 0.87 TGFBR1 (0.33) HPGD
SCHEMBL26064882 0.83 MEN1 (0.39) NAMPTHPGDMEN1KMT2ADDR1
SCHEMBL25369913 0.80 EBP (0.34) KCNH2
SCHEMBL26066123 0.77 EBP (0.41) KCNH2
SCHEMBL26065952 0.75 MEN1 (0.38) NAMPTHPGDMEN1KMT2ADDR1
SCHEMBL27070068 0.74 HPGD (0.46) NAMPTHPGDMEN1KMT2AALDH1A1
SCHEMBL25370431 0.73 CRHR1 (0.42) GAA
SCHEMBL27346508 0.72 CTSK (0.39) HPGDMEN1KMT2ADDR1ALDH1A1
SCHEMBL27346368 0.72 CTSK (0.39) HPGDMEN1KMT2ADDR1ALDH1A1

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
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