SCHEMBL11116904

SCHEMBL11116904

CCCCCc1c(N)nnnc1N

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TLR8 Q9NR97 9/20 0.40
TLR7 Q9NYK1 4/20 0.40
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
NOS2 P35228 1/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
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
SCHEMBL113502 0.98 ALDH1A1 (0.46) ALDH1A1TLR8TLR7KDM4ERAB9A
SCHEMBL468531 0.76 CYP2D6 (0.53) ALDH1A1TLR8TLR7MAPT
SCHEMBL440580 0.74 TYR (0.37) ALDH1A1TLR8TLR7RAB9A
SCHEMBL22347694 0.72 ALDH1A1 (0.40) ALDH1A1TLR8TLR7KDM4ERAB9A
SCHEMBL29037512 0.72 TLR8 (0.41) ALDH1A1TLR8TLR7MAPT
SCHEMBL10345129 0.72 TLR8 (0.41) ALDH1A1TLR8TLR7MAPT
SCHEMBL5679424 0.71 TSHR (0.50) ALDH1A1KDM4ERAB9A
SCHEMBL10345217 0.70 TSHR (0.44) ALDH1A1TLR8TLR7MAPT
SCHEMBL10345132 0.70 TSHR (0.44) ALDH1A1TLR8TLR7MAPT
SCHEMBL28466063 0.70 TLR8 (0.40) ALDH1A1TLR8TLR7MAPT

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
EP-0045503-B1 PROCESS FOR PREPARING ADENINE Kohjin Co., Ltd. (JP) 1984-11-14 EP disclosed