SCHEMBL9008403

SCHEMBL9008403

CCOC(CCCNc1nc(N)nc(N)n1)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.39
TLR7 Q9NYK1 6/20 0.37
HTR7 P34969 7/20 0.36
HTR1A P08908 6/20 0.36
DRD2 P14416 6/20 0.36
HTR2A P28223 6/20 0.36
HTR6 P50406 6/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
HTT P42858 1/20 0.35
CDK9 P50750 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL9008414 0.97 HTR7 (0.39) TLR8TLR7HTR7KDM4EMEN1
SCHEMBL9008390 0.88 SLC29A1 (0.38) LMNAMAPTHTTKMT2ATSHR
SCHEMBL9008409 0.82 SLC29A1 (0.39) TLR8TLR7KDM4EMEN1NPC1
SCHEMBL9008416 0.81 SLC29A1 (0.50) MEN1NPC1ALDH1A1LMNAMAPT
SCHEMBL28364685 0.80 HTR7 (0.43) TLR8TLR7HTR7HTR1ADRD2
SCHEMBL28364574 0.77 HRH3 (0.44) TLR8TLR7HTR7HTR1ADRD2
SCHEMBL554834 0.75 TLR8 (0.55) TLR8TLR7KDM4EMEN1NPC1
SCHEMBL28589569 0.75 TLR8 (0.55) TLR8TLR7KDM4EMEN1NPC1
SCHEMBL1411113 0.74 HTR7 (0.46) TLR8TLR7HTR7HTR1ADRD2
SCHEMBL1411032 0.74 HTR7 (0.50) TLR8TLR7HTR7HTR1ADRD2

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
JP-8325247-A None JP disclosed
JP-H08325247-A FORMALDEHYDE-FREE CROSSLINKING AGENT FOR COATING BINDER HOECHST AG 1996-12-10 JP disclosed
EP-0738719-A1 Formaldehyde-free crosslinkers for lacquer binding agents Vianova Resins GmbH (DE) 1996-10-23 EP disclosed