SCHEMBL27475290

SCHEMBL27475290

NCCCCC(N)C(=O)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.50
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
CTSK P43235 1/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
GSR P00390 1/20 0.43
LMNA P02545 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP2 P08253 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LTA4H P09960 1/20 0.41
HRH1 P35367 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL31411149 1.00 GSK3B (0.50) GSK3BDPP8DPP9DPP7CTSK
SCHEMBL8516112 0.89 GSK3B (0.54) GSK3BCTSKCES2CES1LMNA
SCHEMBL8153442 0.85 GSK3B (0.50) GSK3BCTSKCES2CES1GSR
Lysine SCHEMBL28145765 0.84 GSR (0.56) DPP8DPP9DPP7CTSKCES2
SCHEMBL28844961 0.82 GSK3B (0.58) GSK3BCES2CES1LMNANAPRT
SCHEMBL27474889 0.81 CTSK (0.52) GSK3BCTSKCES2CES1LMNA
SCHEMBL9315967 0.81 GSR (0.48) DPP8DPP9DPP7GSRMMP2
SCHEMBL9315974 0.81 GSR (0.48) DPP8DPP9DPP7GSRMMP2
SCHEMBL31411147 0.81 GSK3B (0.49) GSK3BCES2CES1LMNANAPRT
SCHEMBL22170858 0.78 CTSK (0.52) GSK3BCTSKALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116359195-A Heme saccharification end product detection instrument and detection container thereof 晶铄科技有限公司 2023-06-30 CN disclosed
CN-1145116-A Pyridinoline crosslinks as markers of periodontal and peri-implant disease activity INST MOLECULAR BIOLOGY INC (US) 1997-03-12 CN disclosed