SCHEMBL2349341

SCHEMBL2349341

NCCN(CCO)[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TSHR P16473 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 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
SCHEMBL603996 0.88 ALDH1A1 (0.41) ALDH1A1TDP1KDM4EALOX15
SCHEMBL14718282 0.85 KDM4E (0.31) KDM4ETSHRMEN1ALOX15KMT2A
SCHEMBL10337158 0.85 ALDH1A1 (0.39) ALDH1A1TDP1KDM4EALOX15
Nitric Acid SCHEMBL28232131 0.83 CA5A (0.42) ALDH1A1TDP1KDM4E
Nitric Acid SCHEMBL23493543 0.83 CA5A (0.42) ALDH1A1TDP1KDM4E
SCHEMBL10337286 0.78 ALDH1A1 (0.38) ALDH1A1TDP1KDM4ETSHR
SCHEMBL11653734 0.71 LMNA (0.33) ALDH1A1TDP1KDM4E
SCHEMBL2344633 0.71
SCHEMBL7259334 0.67
Monoethanolamine SCHEMBL8529605 0.66 TSHR (0.53) ALDH1A1TDP1TSHRMEN1KMT2A

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-2536483-B1 SOLVENT TREATMENT PROCESS COMMW SCIENT IND RES ORG (AU) 2017-05-31 EP disclosed
US-20130053614-A1 SOLVENT TREATMENT PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH OR (AU) 2013-02-28 US disclosed
EP-2536483-A1 SOLVENT TREATMENT PROCESS Commonwealth Scientific and Industrial Research Organisation (AU) 2012-12-26 EP disclosed
CN-102834162-A Solvent treatment method COMMW SCIENT IND RES ORG 2012-12-19 CN disclosed
WO-2011100801-A1 SOLVENT TREATMENT PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2011-08-25 WO disclosed