SCHEMBL3845804

SCHEMBL3845804

O=[N+]([O-])C1=CC=C(O)C(=NC(O)Cc2ccccn2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.39
FDPS P14324 1/20 0.36
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.33
MGMT P16455 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
DPP4 P27487 1/20 0.32
LMNA P02545 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 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
SCHEMBL3342426 0.81 L3MBTL1 (0.38) KMT2AL3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL3844212 0.81 TP53 (0.34) ALDH1A1KDM4E
SCHEMBL3347650 0.80 POLB (0.39) KMT2AL3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL3849663 0.74 PTPRA (0.40) PTPRAFDPSL3MBTL1ALDH1A1KDM4E
SCHEMBL10606723 0.66 ALDH1A1 (0.53) PTPRAFDPSKMT2AL3MBTL1ALDH1A1
SCHEMBL6921059 0.60 PTPRA (0.63) PTPRAFDPSALDH1A1KDM4ECYP1A2
SCHEMBL11878642 0.60 PTPRA (0.59) PTPRAFDPSKMT2AALDH1A1KDM4E
SCHEMBL3342831 0.60 SMN1; SMN2 (0.38) KMT2AL3MBTL1ALDH1A1POLBCYP1A2
SCHEMBL1987162 0.59 FDPS (0.45) PTPRAFDPSKMT2AALDH1A1KDM4E
SCHEMBL22728750 0.58 KDM4E (0.63) PTPRAFDPSL3MBTL1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010550-A1 POLYMERISATION OF ETHYLENE AND ALPHA-OLEFINS WITH PYRIDINO-IMINOPHENOL COMPLEXES TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2009-01-07 EP disclosed
WO-2007122139-A1 POLYMERISATION OF ETHYLENE AND ALPHA-OLEFINS WITH PYRIDINO-IMINOPHENOL COMPLEXES TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2007-11-01 WO disclosed