SCHEMBL6777534

SCHEMBL6777534

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=S)NCCCN(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.36
TLR8 Q9NR97 9/20 0.36
NUDT1 P36639 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
FGFR1 P11362 1/20 0.33
ALDH1A1 P00352 2/20 0.32
RECQL P46063 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
RAD52 P43351 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6778839 0.83 MAPKAPK2 (0.43) TLR7TLR8NUDT1LMNAMAPT
SCHEMBL6778983 0.83 SMN1; SMN2 (0.40) NPC1ALDH1A1RECQLKDM4EHTT
SCHEMBL6778424 0.83 TLR7 (0.37) TLR7TLR8NUDT1NPC1RAB9A
SCHEMBL6285998 0.82 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL6773238 0.81 QPCT (0.46) ALDH1A1LMNAMAPT
SCHEMBL6777954 0.81 TLR7 (0.41) TLR7TLR8NUDT1ALDH1A1RECQL
SCHEMBL6779304 0.81 EPHX2 (0.42) TLR7TLR8ALDH1A1
SCHEMBL6772297 0.81 TLR7 (0.44) TLR7TLR8NUDT1RAB9AALDH1A1
SCHEMBL6782830 0.80 HPGD (0.54) ALDH1A1HTTLMNAMAPT
SCHEMBL6778763 0.79 ALDH1A1 (0.42) TLR7TLR8NPC1RAB9AALDH1A1

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
US-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed