SCHEMBL4360801

SCHEMBL4360801

CCCCCn1ccnc1CCC

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.61
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
KCNH2 Q12809 5/20 0.42
TBXAS1 P24557 1/20 0.38
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL5285861 0.98 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL29954318 0.98 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL11533777 0.98 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL11569500 0.98 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL4361611 0.94 ALDH1A1 (0.61) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL1063753 0.93 TLR8 (0.61) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL4364563 0.93 TLR8 (0.61) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL28859187 0.92 TLR8 (0.53) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL5282914 0.91 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL5286463 0.91 TLR8 (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009102419-A2 ALUMINUM RECOVERY PROCESS THE UNIVERSITY OF ALABAMA (US) 2009-08-20 WO claimed