SCHEMBL6779205

SCHEMBL6779205

CCCCC(=O)NCCCCn1c(COCC)nc2c(N)nc(C)cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.43
TLR8 Q9NR97 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
RECQL P46063 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 2/20 0.36
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6773388 0.91 TLR7 (0.37) TLR7TLR8KDM4EHSD17B10LMNA
SCHEMBL6096076 0.89 TLR7 (0.45) TLR7TLR8SMN1; SMN2GAA
SCHEMBL6772264 0.88 TLR7 (0.45) TLR7TLR8SMN1; SMN2KDM4ELMNA
SCHEMBL6096657 0.86 LMNA (0.39) TLR7TLR8SMN1; SMN2LMNARECQL
SCHEMBL6772921 0.86 TLR7 (0.44) TLR7TLR8KMT2AALDH1A1
SCHEMBL6773630 0.85 TLR8 (0.36) TLR7TLR8SMN1; SMN2HTTHPGD
SCHEMBL6773525 0.84 TLR7 (0.41) TLR7TLR8
SCHEMBL6773179 0.84 TLR7 (0.42) TLR7TLR8
SCHEMBL6778890 0.84 TLR7 (0.40) TLR7TLR8KDM4EHSD17B10HPGD
SCHEMBL6779395 0.84 TLR7 (0.46) TLR7TLR8SMN1; SMN2TP53KMT2A

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-6720333-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; N-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)BENZAMIDE 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed