SCHEMBL28846246

SCHEMBL28846246

CCC(c1ccccc1)n1nc(-c2ccc(OC)c(OC)c2)cc(C(F)(F)F)c1=O.c1cc2ccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
TP53 P04637 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.46
PDE4A P27815 5/20 0.44
PDE4B Q07343 5/20 0.44
PDE4C Q08493 5/20 0.44
PDE4D Q08499 5/20 0.44
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
FUBP1 Q96AE4 2/20 0.40
CMA1 P23946 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.40
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39

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
SCHEMBL23410343 0.87 MAPT (0.48) MAPTTP53TDP1POLBPDE4A
SCHEMBL23409918 0.80 PDE4D (0.48) MAPTTP53TDP1POLBPDE4A
SCHEMBL29892204 0.80 PDE4D (0.48) MAPTTP53TDP1POLBPDE4A
SCHEMBL29893357 0.76 PDE4A (0.69) MAPTTP53TDP1POLBPDE4A
SCHEMBL23409872 0.76 PDE4A (0.69) MAPTTP53TDP1POLBPDE4A
SCHEMBL23443637 0.73 PDE4A (0.64) MAPTTP53TDP1POLBPDE4A
SCHEMBL23409921 0.69 PDE4A (0.55) MAPTTP53POLBPDE4APDE4B
SCHEMBL23410164 0.69 PDE4A (0.55) MAPTTP53POLBPDE4APDE4B
SCHEMBL23409914 0.69 PDE4A (0.55) MAPTTP53TDP1POLBPDE4A
SCHEMBL29892224 0.69 PDE4A (0.55) MAPTTP53TDP1POLBPDE4A

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-114945368-A N2-arylmethyl-4-haloalkyl-pyridazin-3-one compounds and uses thereof 香槟-阿尔登兰斯大学 2022-08-26 CN disclosed