SCHEMBL8056331

SCHEMBL8056331

O=C(O)Cn1cnc2c(NOC(c3ccccc3)c3ccccc3)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
EGFR P00533 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
HDAC1 Q13547 5/20 0.44
HDAC2 Q92769 5/20 0.44
HTT P42858 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.41
TMIGD3 P0DMS9 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA2B P29275 1/20 0.41

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
SCHEMBL30089845 0.84 TDP1 (0.43) FLT4KDREGFRPDE4APDE4B
SCHEMBL3133440 0.84 TDP1 (0.43) FLT4KDREGFRPDE4APDE4B
SCHEMBL3457849 0.76 EGFR (0.54) FLT4KDREGFRPDE4APDE4B
SCHEMBL8527256 0.75 TDP1 (0.49) FLT4KDREGFRPDE4APDE4B
SCHEMBL3130095 0.74 TDP1 (0.48) FLT4KDREGFRPDE4APDE4B
SCHEMBL13672568 0.73 TDP1 (0.44) FLT4KDREGFRPDE4APDE4B
SCHEMBL23453027 0.73 HTT (0.51) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL30089853 0.72 FLT4 (0.43) FLT4KDREGFR
SCHEMBL7872820 0.70 HDAC1 (0.48) FLT4KDREGFRPDE4APDE4B
SCHEMBL1404491 0.70 DAPK1 (0.72) FLT4KDREGFRPDE4APDE4B

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-1042349-A1 USING POLYAMIDE NUCLEIC ACID OLIGOMERS TO ENGENDER A BIOLOGICAL RESPONSE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2000-10-11 EP disclosed
WO-1999020643-A9 USING POLYAMIDE NUCLEIC ACID OLIGOMERS TO ENGENDER A BIOLOGICAL RESPONSE MAYO FOUNDATION (US) 1999-08-05 WO disclosed
WO-1999020643-A1 USING POLYAMIDE NUCLEIC ACID OLIGOMERS TO ENGENDER A BIOLOGICAL RESPONSE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 1999-04-29 WO disclosed