SCHEMBL4364563

SCHEMBL4364563

CCCCCn1ccnc1CCCC

nearest known ligand 0.83

Predicted protein targets (top 14)

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 4/20 0.46
AGTR1 P30556 1/20 0.43
AGTR2 P50052 1/20 0.43
TBXAS1 P24557 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL5287062 0.98 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL4365560 0.98 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AKCNH2
Bromide SCHEMBL29384546 0.96 TLR8 (0.57) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL1063753 0.96 TLR8 (0.61) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL2149023 0.95 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL902477 0.95 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL9186379 0.95 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL5286463 0.95 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL5283349 0.95 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL5303316 0.95 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 disclosed