SCHEMBL3849663

SCHEMBL3849663

OC1=CC=CCC1=NC(O)Cc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.40
FDPS P14324 1/20 0.38
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
DPP4 P27487 1/20 0.33
SLC6A4 P31645 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
APP P05067 1/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL3341792 0.79 SMN1; SMN2 (0.41) SMN1; SMN2CYP1A2TSHRHRH3ALDH1A1
SCHEMBL3845006 0.77 TSHR (0.36) CYP1A2MAPTTSHRSLC6A4KDM4E
SCHEMBL3340989 0.76 ALDH1A1 (0.40) CYP1A2HRH3ALDH1A1NPC1RAB9A
SCHEMBL3845804 0.74 PTPRA (0.39) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL3343312 0.71 ADRA2A (0.39) SMN1; SMN2MAPTTSHRKDM4EALDH1A1
SCHEMBL29785749 0.65 PTPRA (0.59) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL7979864 0.65 PTPRA (0.59) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL12532007 0.65 PTPRA (0.59) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL1039370 0.65 PTPRA (0.59) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL6921059 0.65 PTPRA (0.63) PTPRAFDPSGRIN2DGRIN3BGRIN1

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