SCHEMBL29101070

SCHEMBL29101070

CCCCCCCCCCCc1nccn1-n1cc(C)nc1CC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 5/20 0.35
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE10A Q9Y233 2/20 0.33
KCNH2 Q12809 2/20 0.32
SPNS2 Q8IVW8 2/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
TBXAS1 P24557 1/20 0.30
ALPG P10696 1/20 0.30
PLAA Q9Y263 1/20 0.30

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
SCHEMBL23361929 0.83 TLR7 (0.44) TLR8TLR7ALDH1A1POLBKMT2A
SCHEMBL28065390 0.83 TLR7 (0.44) TLR8TLR7ALDH1A1POLBKMT2A
SCHEMBL29121420 0.76 TLR7 (0.35) TLR8TLR7ALDH1A1POLBKMT2A
SCHEMBL28817475 0.74 LMNA (0.41) ALDH1A1KMT2APDE10ALMNATSHR
SCHEMBL28474467 0.74 TSHR (0.33) ALDH1A1POLBKMT2AKCNH2LMNA
SCHEMBL28106054 0.72 TBXAS1 (0.42) TLR8TLR7ALDH1A1POLBKMT2A
SCHEMBL29157792 0.72 SMN1; SMN2 (0.33) ALDH1A1KCNH2LMNATSHR
SCHEMBL11330156 0.70 TLR7 (0.44) TLR8TLR7ALDH1A1POLBKMT2A
SCHEMBL28797166 0.69 LMNA (0.42) TLR7ALDH1A1PDE10AKCNH2SPNS2
SCHEMBL27850177 0.69 LMNA (0.42) TLR7ALDH1A1PDE10AKCNH2SPNS2

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
CN-111587267-B Alicyclic epoxy compound product 株式会社大赛璐 2023-11-07 CN disclosed