SCHEMBL10779248

SCHEMBL10779248

CCCCCCCCCCCc1nc(-c2nc(N)nc(N)n2)cn1CC

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPNS2 Q8IVW8 2/20 0.56
TLR8 Q9NR97 13/20 0.37
PDE10A Q9Y233 1/20 0.36
DHFR P00374 1/20 0.35
TLR7 Q9NYK1 2/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 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
SCHEMBL6553327 0.73 ALDH1A1 (0.41) TLR8TSHR
SCHEMBL12958450 0.69 TSHR (0.46) SPNS2TLR8PDE10ADHFRTLR7
Octane SCHEMBL11319760 0.68 TSHR (0.50) TLR8DHFRTLR7TSHR
SCHEMBL28563249 0.67 KCNH2 (0.40) SPNS2TLR8DHFRTLR7LMNA
SCHEMBL28566398 0.67 KCNH2 (0.40) SPNS2TLR8DHFRTLR7LMNA
SCHEMBL28564260 0.67 KCNH2 (0.40) SPNS2TLR8DHFRTLR7LMNA
SCHEMBL28569877 0.67 KCNH2 (0.40) SPNS2TLR8DHFRTLR7LMNA
SCHEMBL28560956 0.67 KCNH2 (0.40) SPNS2TLR8DHFRTLR7LMNA
SCHEMBL28564252 0.67 KCNH2 (0.40) SPNS2TLR8DHFRTLR7LMNA
SCHEMBL28569884 0.66 KCNH2 (0.39) SPNS2TLR8DHFRTLR7LMNA

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
US-4689388-A POLYHYDRAZIDE, LATENT CURING AGENT, DICYANDIAMIDE, IMIDAZOLE OR DERIVATIVE AJINOMOTO CO., INC. (JP) 1987-08-25 US disclosed