SCHEMBL26066102

SCHEMBL26066102

Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCN(CC2CCOC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 1/20 0.36
▸ EBP Q15125 3/20 0.36
▸ CTSK P43235 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ UBE2M P61081 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.35
▸ TLR7 Q9NYK1 2/20 0.34
▸ NAMPT P43490 2/20 0.34
▸ PDE1B Q01064 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ TPSAB1 Q15661 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ PARG Q86W56 1/20 0.32

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
SCHEMBL26066123 0.94 EBP (0.41) EBPCTSKKCNH2PTGS1PTGS2
SCHEMBL26066195 0.92 CTSK (0.38) CTSKKCNH2TPSAB1PKM
SCHEMBL25373929 0.87 CTSK (0.35) MLNREBPCTSKUBE2MDCUN1D1
SCHEMBL30567055 0.87 CTSK (0.35) MLNREBPCTSKUBE2MDCUN1D1
SCHEMBL25369016 0.87 CTSK (0.35) MLNREBPCTSKUBE2MDCUN1D1
SCHEMBL26066151 0.86 EBP (0.41) EBPKCNH2TPSAB1
SCHEMBL26066188 0.84 USP2 (0.38) CTSKKCNH2PKM
SCHEMBL26066112 0.84 KCNH2 (0.40) EBPCTSKKCNH2PKM
SCHEMBL26066118 0.84 KCNH2 (0.40) EBPCTSKKCNH2PKM
SCHEMBL26066117 0.84 KCNH2 (0.40) EBPCTSKKCNH2PKM

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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