SCHEMBL27627059

SCHEMBL27627059

CCCCc1nccn1CCCCN

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.54
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
KCNH2 Q12809 4/20 0.42
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
TLR7 Q9NYK1 2/20 0.39
SPNS2 Q8IVW8 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL27627062 0.95 TLR8 (0.51) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL1075831 0.92 ALDH1A1 (0.54) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL28214058 0.92 TLR8 (0.51) TLR8ALDH1A1POLBKMT2AKCNH2
Bromide SCHEMBL28272854 0.91 TLR8 (0.55) TLR8ALDH1A1POLBKMT2AKCNH2
Hydrochloric Acid SCHEMBL1029443 0.90 ALDH1A1 (0.53) TLR8ALDH1A1POLBKMT2AKCNH2
Bromide SCHEMBL1029841 0.90 ALDH1A1 (0.53) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL17219025 0.90 TLR8 (0.49) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL4364563 0.90 TLR8 (0.61) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL10532493 0.89 TLR8 (0.53) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL10530747 0.89 TLR8 (0.53) TLR8ALDH1A1POLBKMT2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026092-A Imidazo [4,5-c] cycle compound of guanidine substitution 3M创新有限公司 2018-05-11 CN disclosed
CN-107922416-A Imidazo [4,5-c ] ring compounds containing substituted guanidine groups 3M创新有限公司 2018-04-17 CN disclosed
CN-1812789-B Sulfonamide substituted imidazoquinolines 3M INNOVATION CO LTD 2010-07-14 CN disclosed
CN-1812789-A Sulfonamide substituted imidazoquinolines 3M INNOVATION CO LTD (US) 2006-08-02 CN disclosed