SCHEMBL22508707

SCHEMBL22508707

[N-]=[N+]=NCCNC(=O)OCCSCCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ EPHX2 P34913 2/20 0.33
▸ ACHE P22303 7/20 0.32
▸ HTT P42858 1/20 0.31

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
SCHEMBL20275378 0.85 ACHE (0.37) LMNAEPHX2ACHEHTT
SCHEMBL17852379 0.82 NOS2 (0.41) —
SCHEMBL17840976 0.82 NOS2 (0.41) —
SCHEMBL19513165 0.80 EPHX2 (0.51) KMT2AEPHX2ACHEHTT
SCHEMBL22508746 0.80 ACHE (0.37) LMNAEPHX2ACHEHTT
SCHEMBL22508698 0.80 LMNA (0.44) LMNAKMT2AHSD17B10TDP1
SCHEMBL20275343 0.79 ACHE (0.37) EPHX2ACHEHTT
SCHEMBL22508837 0.77 LMNA (0.41) LMNAKMT2AHSD17B10TDP1EPHX2
SCHEMBL15618153 0.74 EPHX2 (0.51) KMT2AEPHX2ACHEHTT
SCHEMBL22508699 0.74 SMN1; SMN2 (0.40) LMNAEPHX2ACHEHTT

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
EP-3030545-B1 AMINO ACID DERIVATIVES MEDIMMUNE LTD (GB) 2020-10-07 — — EP disclosed
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