SCHEMBL3347655

SCHEMBL3347655

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
PKM P14618 3/20 0.37
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
CTSB P07858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HRH1 P35367 1/20 0.33
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3342429 0.88 KMT2A (0.35) ALDH1A1PKMKMT2ARAB9AMEN1
SCHEMBL3342423 0.88 KMT2A (0.35) ALDH1A1PKMKMT2ARAB9AMEN1
SCHEMBL3340991 0.76 ALDH1A1 (0.41) ALDH1A1LMNACYP1A2CYP3A4HRH1
SCHEMBL3341803 0.70 PDE4D (0.32)
SCHEMBL3342834 0.67 SMN1; SMN2 (0.34) ALDH1A1KMT2ARAB9AMEN1NPC1
SCHEMBL3343580 0.67 SMN1; SMN2 (0.34) ALDH1A1KMT2ARAB9ANPC1LMNA
SCHEMBL3342829 0.67 SMN1; SMN2 (0.34) ALDH1A1KMT2ARAB9AMEN1NPC1
SCHEMBL3343574 0.67 SMN1; SMN2 (0.34) ALDH1A1KMT2ARAB9ANPC1LMNA
SCHEMBL3347448 0.65 SMN1; SMN2 (0.33) ALDH1A1KMT2ARAB9ANPC1POLB
SCHEMBL3347440 0.65 SMN1; SMN2 (0.33) ALDH1A1KMT2ARAB9ANPC1POLB

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