SCHEMBL9513718

SCHEMBL9513718

Nc1cc(C(=O)NCCO)cc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
MAPT P10636 5/20 0.51
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.50
PKM P14618 1/20 0.50
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 3/20 0.45
ALOX5 P09917 1/20 0.44
THRB P10828 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL9516997 0.89 PKM (0.59) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL4581245 0.89 LMNA (0.59) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL4581666 0.82 NTRK2 (0.56) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11335644 0.82 HPGD (0.51) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL27182339 0.80 PKM (0.64) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL3576870 0.79 MEN1 (0.60) NPC1MAPTLMNAMEN1KMT2A
SCHEMBL27182301 0.78 PKM (0.65) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL5674245 0.78 PKM (0.65) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6835143 0.78 ALDH1A1 (0.71) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL27182312 0.78 PKM (0.65) MAPTALDH1A1LMNAMEN1KMT2A

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-0357467-B1 Non-ionic tri-iodobenzene compounds, and contrast agents containing same GUERBET SA (FR) 1993-12-08 EP disclosed
CN-1021440-C PROCESS FOR PREPARING IODIZATED NON-IONIC TRIIODO-BENZENE COMPOUNDS AND CONTRAST AGENT CONTG. SAME GUERBET SA (FR) 1993-06-30 CN 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
CN-1038094-A Novel iodate nonionic phenyl triiodide compound and contain the preparation method of the contrast medium of this compound GUERBET SA (FR) 1989-12-20 CN disclosed