SCHEMBL27070068

SCHEMBL27070068

Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HSD11B1 P28845 1/20 0.43
▸ USP5 P45974 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ EBP Q15125 2/20 0.37
▸ DHCR7 Q9UBM7 2/20 0.37
▸ NAMPT P43490 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL26064882 0.91 MEN1 (0.39) HPGDALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL26027581 0.86 CTSK (0.38) HPGDALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL27034397 0.85 CTSK (0.37) HPGDALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL27346368 0.84 CTSK (0.39) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL27346508 0.84 CTSK (0.39) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL27034422 0.84 CTSK (0.39) HPGDALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL27034537 0.84 CTSK (0.39) HPGDALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL27034398 0.84 CTSK (0.39) HPGDALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL26065952 0.83 MEN1 (0.38) HPGDALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL25363339 0.83 CTSK (0.38) HPGDALDH1A1KDM4ESMN1; SMN2MEN1

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-2024020156-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2024-01-25 — — WO disclosed
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