SCHEMBL28569884

SCHEMBL28569884

CCCCCCCCCCCc1nc(CCCC)cn1-c1nc(N)nc(N)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
NOS2 P35228 1/20 0.36
DHFR P00374 1/20 0.35
HRH2 P25021 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TLR7 Q9NYK1 3/20 0.34
SPNS2 Q8IVW8 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
TLR8 Q9NR97 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL28575209 1.00 KCNH2 (0.39) KCNH2NOS2DHFRHRH2HRH3
SCHEMBL28566398 0.99 KCNH2 (0.40) KCNH2NOS2DHFRTLR7SPNS2
SCHEMBL28560956 0.99 KCNH2 (0.40) KCNH2NOS2DHFRTLR7SPNS2
SCHEMBL28569877 0.99 KCNH2 (0.40) KCNH2NOS2DHFRTLR7SPNS2
SCHEMBL28564252 0.99 KCNH2 (0.40) KCNH2NOS2DHFRTLR7SPNS2
SCHEMBL28563249 0.99 KCNH2 (0.40) KCNH2NOS2DHFRTLR7SPNS2
SCHEMBL28564260 0.99 KCNH2 (0.40) KCNH2NOS2DHFRTLR7SPNS2
SCHEMBL28580550 0.94 KCNH2 (0.36) KCNH2NOS2DHFRTLR7SPNS2
SCHEMBL28577397 0.94 KCNH2 (0.36) KCNH2NOS2DHFRTLR7SPNS2
SCHEMBL28905984 0.91 KCNH2 (0.36) KCNH2DHFRTLR7SPNS2LMNA

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-112724596-A Curable composition and cured product 盛势达技研株式会社 2021-04-30 CN disclosed