SCHEMBL6768345

SCHEMBL6768345

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=O)Cc1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
TLR7 Q9NYK1 4/20 0.43
TLR8 Q9NR97 3/20 0.43
BRD4 O60885 5/20 0.42
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6773648 0.87 TLR7 (0.48) ALDH1A1TLR7TLR8MEN1MAPT
SCHEMBL6779320 0.85 ALDH1A1 (0.46) ALDH1A1TSHRTLR7TLR8BRD4
SCHEMBL6774073 0.84 ALDH1A1 (0.45) ALDH1A1TSHRTLR7TLR8BRD4
SCHEMBL6768441 0.82 TLR7 (0.47) TLR7TLR8KDM4EHSD17B10
SCHEMBL6773147 0.82 TLR7 (0.45) TLR7TLR8
SCHEMBL6771916 0.82 TLR7 (0.48) TLR7TLR8KDM4EHPGDLMNA
SCHEMBL6775141 0.81 TLR7 (0.51) TLR7TLR8MAPT
SCHEMBL6778162 0.81 TLR7 (0.41) ALDH1A1TSHRTLR7TLR8CYP3A4
SCHEMBL6777954 0.81 TLR7 (0.41) ALDH1A1TLR7TLR8KDM4EHPGD
SCHEMBL6285998 0.80 TLR7 (0.40) TLR7TLR8

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