SCHEMBL9683823

SCHEMBL9683823

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
BLM P54132 1/20 0.44
HBB P68871 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.44
LDHA P00338 1/20 0.40
SRR Q9GZT4 1/20 0.40
CPA1 P15085 7/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL3811251 0.80 MEN1 (0.41) MEN1LMNABLMHBBKMT2A
Nitroacetic Acid SCHEMBL153563 0.77
SCHEMBL4768598 0.77 LMNA (0.54) MEN1LMNABLMHBBKMT2A
SCHEMBL5404640 0.77 KDM4E (0.41) MEN1LMNABLMHBBKMT2A
SCHEMBL17667738 0.75 ALDH1A1 (0.33) MEN1LMNABLMHBBKMT2A
SCHEMBL31412046 0.75 KDM4E (0.39) MEN1LMNABLMHBBKMT2A
Nitroacetic Acid SCHEMBL29086914 0.75
Nitroacetic Acid SCHEMBL5933852 0.75
Nitroacetic Acid SCHEMBL11626511 0.75
Nitroacetic Acid SCHEMBL19995636 0.75 LMNA (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017144709-A1 ANTI-VIRAL DRUG DORING INTERNATIONAL GMBH (CH) 2017-08-31 WO disclosed
US-5162572-A Process for preparation of nitroacetate W.R. GRACE & CO.-CONN. (US) 1992-11-10 US disclosed