SCHEMBL5746792

SCHEMBL5746792

Nc1nc2ccccc2c2c1ncn2CCCCCC(=O)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.51
TLR8 Q9NR97 11/20 0.51
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 2/20 0.43
THRB P10828 1/20 0.43
LMNA P02545 1/20 0.43
HRH2 P25021 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
ADORA2A P29274 1/20 0.43
ADRA1A P35348 1/20 0.43
NUDT1 P36639 1/20 0.43
HTR2B P41595 1/20 0.43
PDE4D Q08499 1/20 0.43
KCNH2 Q12809 1/20 0.43
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL5747394 0.90 TLR7 (0.56) TLR7TLR8KMT2AALDH1A1POLB
SCHEMBL5750269 0.88 TLR7 (0.43) TLR7TLR8KMT2AALDH1A1HTT
SCHEMBL5748639 0.88 TLR7 (0.54) TLR7TLR8KMT2APOLBTHRB
SCHEMBL5749723 0.87 TLR7 (0.45) TLR7TLR8POLBTHRBLMNA
SCHEMBL5749163 0.87 TLR7 (0.53) TLR7TLR8KMT2AALDH1A1POLB
SCHEMBL5749516 0.85 TLR7 (0.54) TLR7TLR8ALDH1A1POLBLMNA
SCHEMBL5748024 0.84 TLR7 (0.59) TLR7TLR8LMNA
SCHEMBL5747228 0.84 TLR7 (0.50) TLR7TLR8POLBTHRBLMNA
SCHEMBL5749982 0.83 TLR7 (0.51) TLR7TLR8POLBTHRBLMNA
SCHEMBL5748534 0.83 TLR7 (0.45) TLR7TLR8ALDH1A1HTTPOLB

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-1187613-B9 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-10-25 EP claimed
EP-1187613-B1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-09 EP claimed
US-6451810-B1 AID IN CYTOKINE BIOSYNTHESIS 3M INNOVATIVE PROPERTIES COMPANY 2002-09-17 US claimed