SCHEMBL27690134

SCHEMBL27690134

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

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.74
MEN1 O00255 1/20 0.74
BLM P54132 1/20 0.74
HBB P68871 1/20 0.74
KMT2A Q03164 1/20 0.74
HIF1A Q16665 1/20 0.74
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
EGLN1 Q9GZT9 2/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
MAPK1 P28482 1/20 0.32
SLC13A3 Q8WWT9 1/20 0.32
OR51E2 Q9H255 1/20 0.32
SLC22A6 Q4U2R8 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
SCHEMBL28024577 0.86 LMNA (1.00) LMNAMEN1BLMHBBKMT2A
SCHEMBL70072 0.86
SCHEMBL13570389 0.84
SCHEMBL27572689 0.77 LMNA (0.81) LMNAMEN1BLMHBBKMT2A
SCHEMBL1679439 0.72
Hydrochloric Acid SCHEMBL11628771 0.70 LMNA (0.68) LMNAMEN1BLMHBBKMT2A
SCHEMBL5249440 0.70 LMNA (0.68) LMNAMEN1BLMHBBKMT2A
SCHEMBL27690133 0.69 MEN1 (0.43) LMNAMEN1BLMHBBKMT2A
SCHEMBL2372027 0.68 LMNA (0.65) LMNAMEN1BLMHBBKMT2A
SCHEMBL1119124 0.68 LMNA (0.65) LMNAMEN1BLMHBBKMT2A

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