SCHEMBL22136255

SCHEMBL22136255

CCn1c(C)cn(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
GSK3A P49840 3/20 0.39
GSK3B P49841 3/20 0.39
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
PDE4A P27815 4/20 0.36
ADORA2A P29274 4/20 0.36
PDE4B Q07343 4/20 0.36
PDE4C Q08493 4/20 0.36
PDE4D Q08499 4/20 0.36
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 2/20 0.33
TYR P14679 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL26940381 0.78 KDM4E (0.42) POLBGSK3AGSK3BALDH1A1KDM4E
SCHEMBL27506471 0.77 POLB (0.39) POLBGSK3AGSK3BALDH1A1KDM4E
SCHEMBL28744250 0.77 ADORA2B (0.41) ALDH1A1KDM4EADORA2B
SCHEMBL3591122 0.75 APEX1 (0.44) POLBALDH1A1KDM4ELMNAADORA2B
SCHEMBL291488 0.70
SCHEMBL3875250 0.70 ALDH1A1 (0.59) POLBALDH1A1KDM4ELMNAGAA
SCHEMBL3576407 0.69 POLB (0.46) POLBALDH1A1KDM4ELMNAADORA2B
SCHEMBL4768929 0.68 POLB (0.59) POLBALDH1A1KDM4ELMNAGAA
SCHEMBL11715139 0.67 ADORA2A (0.36) GSK3AGSK3BALDH1A1KDM4ELMNA
SCHEMBL21911678 0.67 ALDH1A1 (0.39) POLBGSK3AGSK3BALDH1A1KDM4E

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
WO-2020132549-A1 STING HETEROCYCLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed