SCHEMBL3347650

SCHEMBL3347650

O=[N+]([O-])C1=CC=C(O)C(=NCCc2ccccn2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MGMT P16455 1/20 0.34
CYP3A4 P08684 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HRH1 P35367 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
SCHEMBL3342426 0.88 L3MBTL1 (0.38) POLBALDH1A1KMT2ARAB9AMEN1
SCHEMBL3845804 0.80 PTPRA (0.39) POLBALDH1A1KMT2ARAB9AMEN1
SCHEMBL3844212 0.73 TP53 (0.34) ALDH1A1KDM4EPKMMAPT
SCHEMBL3340989 0.73 ALDH1A1 (0.40) ALDH1A1RAB9ANPC1CYP1A2CYP2C19
SCHEMBL3341800 0.69 PDE4D (0.33) ALDH1A1KMT2ARAB9AMEN1NPC1
SCHEMBL3342831 0.66 SMN1; SMN2 (0.38) POLBALDH1A1KMT2ARAB9AMEN1
SCHEMBL3347655 0.64 ALDH1A1 (0.37) POLBALDH1A1KMT2ARAB9AMEN1
SCHEMBL3347444 0.64 MAP1LC3B (0.37) POLBALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL3342443 0.64 ALDH1A1 (0.36) POLBALDH1A1KMT2ARAB9AMEN1
Nitric Acid SCHEMBL7648584 0.63 HRH1 (0.61) POLBALDH1A1KMT2ARAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010550-B1 POLYMERISATION OF ETHYLENE AND ALPHA-OLEFINS WITH PYRIDINO-IMINOPHENOL COMPLEXES TOTAL RES & TECHNOLOGY FELUY (BE) 2013-06-19 EP disclosed
US-8399582-B2 Polymerisation of ethylene and alpha-olefins with pyridino-iminophenol complexes TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2013-03-19 US disclosed
US-20100160583-A1 Polymerisation of Ethylene and Alpha-Olefins with Pyridino-Iminophenol Complexes TOTAL PETROCHEMICALS RESEARCH FEULY (BE) 2010-06-24 US disclosed