SCHEMBL29618133

SCHEMBL29618133

N=C(O)c1ccc[n+]([O-])c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.46
GPR84 Q9NQS5 5/20 0.42
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 1/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
F12 P00748 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
PKM P14618 1/20 0.34
USP2 O75604 1/20 0.34
BLM P54132 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
SCHEMBL5699279 0.81 KMT2A (0.57) MEN1KMT2AL3MBTL1GPR84ABL1
Oxiniacic Acid SCHEMBL29766756 0.78 MEN1 (1.00) MEN1KMT2AL3MBTL1GPR84ABL1
Oxiniacic Acid SCHEMBL129209 0.78 MEN1 (1.00) MEN1KMT2AL3MBTL1GPR84ABL1
SCHEMBL1447056 0.78 MEN1 (0.53) MEN1KMT2AL3MBTL1GPR84ABL1
SCHEMBL9083270 0.77 MEN1 (0.68) MEN1KMT2AL3MBTL1GPR84ABL1
SCHEMBL10899428 0.75 MEN1 (0.71) MEN1KMT2AL3MBTL1GPR84ABL1
SCHEMBL10920085 0.75 MEN1 (0.71) MEN1KMT2AL3MBTL1GPR84ABL1
Maleic Acid SCHEMBL19463946 0.74 KMT2A (0.57) MEN1KMT2AL3MBTL1GPR84ABL1
SCHEMBL128526 0.72 MEN1 (0.68) MEN1KMT2AL3MBTL1GPR84ABL1
SCHEMBL212234 0.72 MEN1 (0.68) MEN1KMT2AL3MBTL1GPR84ABL1

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
EP-4247792-A1 PROCESSES FOR PREPARING ARIMOCLOMOL CITRATE AND INTERMEDIATES THEREOF Zevra Denmark A/S (DK) 2023-09-27 EP disclosed
WO-2022106614-A1 PROCESSES FOR PREPARING ARIMOCLOMOL CITRATE AND INTERMEDIATES THEREOF ORPHAZYME A/S (DK) 2022-05-27 WO disclosed