SCHEMBL27690133

SCHEMBL27690133

O=C(CC[N+](=O)[O-])OC(=O)C(I)(I)I

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
BLM P54132 1/20 0.43
HBB P68871 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL12025169 0.74 MEN1 (0.48) MEN1LMNABLMHBBKMT2A
SCHEMBL27690134 0.69 LMNA (0.74) MEN1LMNABLMHBBKMT2A
SCHEMBL5593734 0.69
SCHEMBL5667587 0.68 MEN1 (0.46) MEN1LMNABLMHBBKMT2A
SCHEMBL1029123 0.65 LMNA (0.48) MEN1LMNABLMHBBKMT2A
SCHEMBL8371814 0.65 MEN1 (0.48) MEN1LMNABLMHBBKMT2A
SCHEMBL17674199 0.64 MEN1 (0.46) MEN1LMNABLMHBBKMT2A
SCHEMBL9416832 0.64 LMNA (0.46) MEN1LMNABLMHBBKMT2A
Potassium Ion SCHEMBL9416827 0.64 LMNA (0.46) MEN1LMNABLMHBBKMT2A
SCHEMBL28087256 0.64 LMNA (0.47) MEN1LMNABLMHBBKMT2A

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
CN-85101452-A But proofread and correct sterilization anionic sequestering agent and multivalent metal cation that permeability is used 1987-04-01 CN claimed