SCHEMBL29925612

SCHEMBL29925612

CCOC(=O)c1ccc2c(c1)c(-c1cc(O)cc(N3CCOCC3)c1)nn2C1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.44
SIRT1 Q96EB6 3/20 0.44
GAA P10253 3/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
MC4R P32245 1/20 0.42
HTT P42858 1/20 0.42
CLK1 P49759 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
JMJD6 Q6NYC1 1/20 0.41
PIK3CA P42336 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.39
ATR Q13535 3/20 0.38

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
SCHEMBL27032444 1.00 SIRT2 (0.44) SIRT2SIRT1GAALMNAMAPT
SCHEMBL27032513 0.81 ATR (0.40) SIRT2SIRT1GAALMNAMAPT
SCHEMBL29925518 0.81 ATR (0.40) SIRT2SIRT1GAALMNAMAPT
SCHEMBL27032307 0.78 ATR (0.34) ATR
SCHEMBL29925930 0.78 ATR (0.34) ATR
SCHEMBL5378173 0.77 RAB9A (0.41) GAAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL27032319 0.77 ALDH1A1 (0.43) GAAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL29925939 0.75 KIT (0.43) ATR
SCHEMBL27032614 0.75 KIT (0.43) ATR
SCHEMBL5377520 0.74 MAPT (0.44) GAAMAPTMAPK1HTTMEN1

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
EP-4308570-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS Les Laboratoires Servier (FR) 2024-01-24 EP disclosed
WO-2022194976-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-09-22 WO disclosed