SCHEMBL26066065

SCHEMBL26066065

CC(C)c1cc(S(=O)(=O)N2CCN(C3CCOCC3)CC2)n(C)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.38
▸ PDE7A Q13946 1/20 0.36
▸ KDM2B Q8NHM5 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ HTT P42858 1/20 0.36
▸ NAMPT P43490 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL26065421 0.92 HPGD (0.37) HPGDPDE7AALDH1A1HTTNAMPT
SCHEMBL25370098 0.85 HPGD (0.32) HPGDKDM2BACHEMEN1KMT2A
SCHEMBL26065956 0.84 HPGD (0.39) HPGDPDE7AALDH1A1HTTNAMPT
SCHEMBL26065442 0.82 KDM4E (0.41) HPGDPDE7AALDH1A1HTTNAMPT
SCHEMBL26064882 0.81 MEN1 (0.39) HPGDPDE7AALDH1A1HTTNAMPT
SCHEMBL26065959 0.81 PDE7A (0.39) HPGDPDE7AALDH1A1HTTNAMPT
SCHEMBL26065952 0.81 MEN1 (0.38) HPGDPDE7AALDH1A1HTTNAMPT
SCHEMBL27034396 0.80 KDM2B (0.36) HPGDKDM2BACHEALDH1A1MEN1
SCHEMBL26065653 0.78 PDE7A (0.40) HPGDPDE7AALDH1A1NAMPTMEN1
SCHEMBL25373015 0.77 HPGD (0.31) HPGDMEN1KMT2A

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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