SCHEMBL28580550

SCHEMBL28580550

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
DHFR P00374 1/20 0.35
TLR7 Q9NYK1 7/20 0.34
SPNS2 Q8IVW8 2/20 0.34
TLR8 Q9NR97 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
MAPT P10636 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL28577397 1.00 KCNH2 (0.36) KCNH2DHFRTLR7SPNS2TLR8
SCHEMBL28569877 0.96 KCNH2 (0.40) KCNH2DHFRTLR7SPNS2TLR8
SCHEMBL28564252 0.96 KCNH2 (0.40) KCNH2DHFRTLR7SPNS2TLR8
SCHEMBL28563249 0.96 KCNH2 (0.40) KCNH2DHFRTLR7SPNS2TLR8
SCHEMBL28560956 0.96 KCNH2 (0.40) KCNH2DHFRTLR7SPNS2TLR8
SCHEMBL28564260 0.96 KCNH2 (0.40) KCNH2DHFRTLR7SPNS2TLR8
SCHEMBL28566398 0.96 KCNH2 (0.40) KCNH2DHFRTLR7SPNS2TLR8
SCHEMBL28575209 0.94 KCNH2 (0.39) KCNH2DHFRTLR7SPNS2TLR8
SCHEMBL28569884 0.94 KCNH2 (0.39) KCNH2DHFRTLR7SPNS2TLR8
SCHEMBL28905984 0.91 KCNH2 (0.36) KCNH2DHFRTLR7SPNS2TLR8

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