SCHEMBL10824697

SCHEMBL10824697

CCCCCc1nccn1CCC#N

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.44
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
KCNH2 Q12809 3/20 0.38
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
TLR7 Q9NYK1 2/20 0.35
TSHR P16473 1/20 0.34
CSNK2A1 P68400 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
SCHEMBL83434 0.98 TLR8 (0.43) TLR8ALDH1A1POLBKMT2APDE4A
SCHEMBL9231229 0.98 TLR8 (0.43) TLR8ALDH1A1POLBKMT2APDE4A
SCHEMBL27857586 0.98 TLR8 (0.43) TLR8ALDH1A1POLBKMT2APDE4A
SCHEMBL718394 0.89 KCNH2 (0.39) TLR8ALDH1A1POLBKMT2APDE4A
SCHEMBL11033149 0.87 PLA2G2A (0.41) ALDH1A1AGTR1AGTR2
SCHEMBL1063753 0.84 TLR8 (0.61) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL27899839 0.83 TLR8 (0.41) TLR8ALDH1A1POLBKMT2APDE4A
SCHEMBL5283349 0.82 TLR8 (0.59) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL4225938 0.82 ALDH1A1 (0.58) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL5286463 0.82 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61148229-A None JP disclosed
JP-S61148229-A EPOXY RESIN COMPOSITION NIPPON ZEON CO LTD 1986-07-05 JP disclosed