SCHEMBL9516997

SCHEMBL9516997

O=C(NCCO)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.59
LMNA P02545 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 4/20 0.56
HTT P42858 2/20 0.56
GAA P10253 2/20 0.55
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
ALOX5 P09917 2/20 0.52
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL4581245 0.97 LMNA (0.59) PKMLMNAMEN1KMT2AMAPT
SCHEMBL27182339 0.90 PKM (0.64) PKMLMNAMEN1KMT2AMAPT
SCHEMBL9513718 0.89 NPC1 (0.52) PKMLMNAMEN1KMT2AMAPT
SCHEMBL27182301 0.87 PKM (0.65) PKMLMNAMEN1KMT2AMAPT
SCHEMBL27182265 0.87 PKM (0.65) PKMLMNAMEN1KMT2AMAPT
SCHEMBL27182312 0.87 PKM (0.65) PKMLMNAMEN1KMT2AMAPT
SCHEMBL5674245 0.87 PKM (0.65) PKMLMNAMEN1KMT2AMAPT
SCHEMBL3576870 0.85 MEN1 (0.60) PKMLMNAMEN1KMT2AMAPT
SCHEMBL6835143 0.84 ALDH1A1 (0.71) LMNAMEN1KMT2AMAPTALDH1A1
Dimethylamine SCHEMBL10717788 0.83 PKM (0.57) PKMLMNAMEN1KMT2AMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4345092-A1 NITROBENZAMIDE COMPOUNDS, METHODS AND USES THEREOF Faculdade de Farmácia da Universidade de Lisboa (PT) 2024-04-03 EP disclosed
EP-0357467-B1 Non-ionic tri-iodobenzene compounds, and contrast agents containing same GUERBET SA (FR) 1993-12-08 EP disclosed
US-5043152-A Radiography GUERBET S.A. (FR) 1991-08-27 US disclosed
EP-0357467-A1 Non-ionic tri-iodobenzene compounds, and contrast agents containing same GUERBET S.A. (FR) 1990-03-07 EP disclosed
WO-1988008417-A1 IODIZED BENZENE DIAMINO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND CONTRAST PRODUCTS CONTAINING THEM GUERBET S.A. (FR) 1988-11-03 WO disclosed