SCHEMBL6970195

SCHEMBL6970195

CC(C)c1nc(CCCO)n(Cc2ccccn2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.35
TLR8 Q9NR97 6/20 0.33
HSP90B1 P14625 1/20 0.33
TRAP1 Q12931 1/20 0.33
HRH1 P35367 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AGTR1 P30556 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NOX4 Q9NPH5 1/20 0.31
P2RX3 P56373 1/20 0.31
ALOX5AP P20292 1/20 0.31
ADRA1D P25100 1/20 0.31

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
SCHEMBL7082531 0.94 HRH1 (0.34) TLR7HSP90B1TRAP1HRH1ALDH1A1
SCHEMBL6974023 0.93 TLR8 (0.36) TLR7TLR8HRH1ALDH1A1KDM4E
SCHEMBL6976953 0.90 ALDH1A1 (0.33) TLR7HSP90B1TRAP1HRH1ALDH1A1
SCHEMBL6974738 0.90 TLR7 (0.36) TLR7HRH1ALDH1A1NPSR1TDP1
SCHEMBL7084830 0.89 TLR7 (0.40) TLR7HRH1ALDH1A1TDP1TP53
SCHEMBL6973869 0.89 TLR7 (0.35) TLR7TLR8HRH1ALDH1A1KDM4E
SCHEMBL7082928 0.89 HRH1 (0.36) TLR7HSP90B1TRAP1HRH1ALDH1A1
SCHEMBL8343030 0.87 LMNA (0.40) TP53MEN1KMT2AADRA1D
SCHEMBL7082472 0.87 ALDH1A1 (0.37) TLR7HRH1ALDH1A1KDM4EMAPT
SCHEMBL6975001 0.86 ALDH1A1 (0.33) TLR7HSP90B1TRAP1ALDH1A1AGTR1

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-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed