SCHEMBL1010420

SCHEMBL1010420

Nc1nc2ccccc2c2c(CO)ccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
TLR7 Q9NYK1 11/20 0.41
TLR8 Q9NR97 6/20 0.40
ADORA2A P29274 2/20 0.40
ADRA1A P35348 2/20 0.40
KCNH2 Q12809 2/20 0.40
POLB P06746 1/20 0.40
HRH2 P25021 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2A P28223 1/20 0.40
NUDT1 P36639 1/20 0.40
HTR2B P41595 1/20 0.40
PDE4D Q08499 1/20 0.40
ADORA3 P0DMS8 2/20 0.39

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
SCHEMBL1703454 0.83 TLR7 (0.52) LMNALOXL2TLR7TLR8ADORA2A
SCHEMBL1060527 0.83 TLR7 (0.40) LMNALOXL2TLR7TLR8ADORA2A
SCHEMBL1924839 0.81 TLR7 (0.48) LMNALOXL2TLR7TLR8ADORA2A
SCHEMBL1007693 0.78 TLR7 (0.49) LMNAKDM4ETLR7TLR8ADORA2A
SCHEMBL2554832 0.77 ADORA3 (0.40) LMNAKDM4EMAPTTLR7TLR8
SCHEMBL2229462 0.75 TLR7 (0.44) LMNATLR7TLR8ADORA2AADRA1A
SCHEMBL1062179 0.75 BACE1 (0.49) LMNAKDM4EMAPTTLR7TLR8
SCHEMBL1006096 0.74 DCPS (0.54) MAPTTLR7ADORA2AADORA3ADORA1
SCHEMBL1059574 0.73 DHFR (0.53) LMNAKDM4ETP53MAPTTSHR
SCHEMBL1008890 0.73 TLR7 (0.49) LMNAKDM4ETP53MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268618-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-01-05 EP claimed
WO-2009111337-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2009-09-11 WO claimed