SCHEMBL8926779

SCHEMBL8926779

CCCCCOS(=O)(=O)c1c([N+](=O)[O-])c(N)nc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 15/20 0.41
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TLR7 Q9NYK1 4/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MGMT P16455 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA2 P00918 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
SCHEMBL8926837 0.85 LMNA (0.38) TLR8LMNAALDH1A1GAAMAPT
SCHEMBL8597456 0.83 TXNRD1 (0.42) TLR8LMNAALDH1A1GAAMAPT
SCHEMBL8629877 0.83 LMNA (0.38) TLR8LMNAALDH1A1GAAMAPT
SCHEMBL8565650 0.82 MGMT (0.50) LMNAALDH1A1MAPTHTTMGMT
SCHEMBL8596066 0.81 NPY5R (0.43) TLR8LMNAALDH1A1GAAMAPT
SCHEMBL8598122 0.81 TLR8 (0.48) TLR8LMNAALDH1A1GAAMAPT
SCHEMBL8925738 0.80 GSK3A (0.39) LMNAMAPTMEN1KMT2AMGMT
SCHEMBL8627624 0.78 MAPT (0.39) LMNAALDH1A1GAAMAPTHTT
SCHEMBL8625854 0.76 CA2 (0.42) TLR8LMNAALDH1A1GAAMAPT
SCHEMBL8596810 0.76 ALDH1A1 (0.47) TLR8LMNAALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed