SCHEMBL2002467

SCHEMBL2002467

Cc1nc(N)ncc1NCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.53
TLR8 Q9NR97 6/20 0.53
TLR7 Q9NYK1 5/20 0.53
KDM4E B2RXH2 2/20 0.51
ASPH Q12797 2/20 0.51
RIOX2 Q8IUF8 2/20 0.51
KDM8 Q8N371 2/20 0.51
HPGD P15428 1/20 0.48
EGLN1 Q9GZT9 1/20 0.47
KDM6B O15054 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
HTR7 P34969 1/20 0.46

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
SCHEMBL1998196 0.92 KDM4E (0.49) TLR8TLR7KDM4EASPHRIOX2
SCHEMBL23472149 0.82 TLR8 (0.61) TLR8TLR7
SCHEMBL13195051 0.72 TLR7 (0.68) TLR8TLR7
SCHEMBL14869430 0.71 HTR7 (0.64) HDAC6TLR8TLR7HPGDHTR7
SCHEMBL1998194 0.71 APP (0.57) TLR8TLR7KDM4EHPGD
SCHEMBL14869380 0.71 HTR7 (0.68) TLR8TLR7HPGDHTR7
SCHEMBL13194976 0.71 TLR8 (0.64) TLR8TLR7
SCHEMBL20219355 0.71 TLR7 (0.64) TLR8TLR7
SCHEMBL2571205 0.71 HDAC6 (0.71) HDAC6TLR8TLR7KDM4EASPH
SCHEMBL11598417 0.71 MAPT (0.64) HDAC6HPGDKDM6BKDM4C

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
WO-2011076878-A1 AMINOALKYLPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS PALAU PHARMA, S.A. (ES) 2011-06-30 WO disclosed