SCHEMBL5259308

SCHEMBL5259308

CCCCOC(=O)NCCOCCn1c(CCCC)nc2c[n+]([O-])c3ccccc3c21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
TLR7 Q9NYK1 5/20 0.39
TLR8 Q9NR97 1/20 0.39
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL4333747 0.91 TLR7 (0.46) GAAHTTTP53LMNATLR7
SCHEMBL5364616 0.83 TLR7 (0.48) GAAHTTTP53LMNATLR7
SCHEMBL1895809 0.82 TLR7 (0.41) TLR7TLR8SMN1; SMN2CNR1CNR2
SCHEMBL5106169 0.82 TLR7 (0.40) TLR7TLR8CNR2
SCHEMBL25962881 0.82 TLR7 (0.49) GAAHTTTP53LMNATLR7
SCHEMBL1951281 0.82 GAA (0.47) GAAHTTTP53LMNATLR7
SCHEMBL1951282 0.82 GAA (0.47) GAAHTTTP53LMNATLR7
SCHEMBL3093082 0.82 GNRHR (0.39) TLR7TLR8CNR2
SCHEMBL1960054 0.81 TLR7 (0.42) GAAHTTTP53LMNATLR7
SCHEMBL2897450 0.81 TLR7 (0.43) GAAHTTTP53LMNATLR7

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
EP-1341790-B1 SULFONAMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2007-02-14 EP disclosed