SCHEMBL28929035

SCHEMBL28929035

O=C1CC=Cc2c(Br)cccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CDK5 Q00535 1/20 0.38
ROCK1 Q13464 1/20 0.38
DYRK1A Q13627 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL1842983 0.77 MAPT (0.41) CA1CA2CA7CA9ALDH1A1
SCHEMBL17577745 0.77 ACHE (0.37) PARP10PARP11CA1CA2CA7
SCHEMBL18368348 0.74 DPP4 (0.37) CA1CA2CA9
SCHEMBL30489886 0.72
SCHEMBL29575376 0.72 PGAM1 (0.37)
SCHEMBL9773689 0.72 PGAM1 (0.37)
SCHEMBL13930824 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL2783384 0.71 CA1 (0.32) CA1CA2
SCHEMBL30183336 0.71 CA1 (0.32) CA1CA2
SCHEMBL31030077 0.71 IDO1 (0.50) PIM1CSNK1A1CDK5ROCK1DYRK1A

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-115583876-A Phenyl-naphthalenepophenone compounds, preparation method and application thereof 深圳技术大学 2023-01-10 CN disclosed