SCHEMBL8555782

SCHEMBL8555782

CC(CNCCN1C(=O)c2ccc3[nH]c4ccccc4c3c2C1=O)NCCN1C(=O)c2ccc3[nH]c4ccccc4c3c2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CHEK1 O14757 1/20 0.36
NQO1 P15559 1/20 0.36
OGA O60502 1/20 0.35
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35
TERT O14746 1/20 0.35
ADRB2 P07550 6/20 0.34
DNM1 Q05193 2/20 0.34
ROCK2 O75116 1/20 0.34
UTS2R Q9UKP6 3/20 0.34
DYRK3 O43781 1/20 0.34
RPS6KB1 P23443 1/20 0.34
EPHA2 P29317 1/20 0.34
FLT4 P35916 1/20 0.34
CSNK2A1 P68400 1/20 0.34
SIRT1 Q96EB6 1/20 0.33
DRD2 P14416 3/20 0.33

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
SCHEMBL8133497 0.84 SIRT1 (0.49) PARP1CHEK1NQO1OGAHEXA
SCHEMBL7985172 0.80 SIRT1 (0.44) PARP1CHEK1NQO1OGAHEXA
SCHEMBL5828276 0.77 PARP1 (0.51) PARP1CHEK1NQO1HEXAHEXB
SCHEMBL9622936 0.76 TERT (0.52) PARP1NQO1HEXAHEXBTERT
Hydrochloric Acid SCHEMBL9622732 0.75 TERT (0.51) PARP1NQO1HEXAHEXBTERT
SCHEMBL5828670 0.73 PARP1 (0.59) PARP1ROCK2SIRT1KDM4EADORA3
SCHEMBL9622806 0.72 NQO1 (0.67) PARP1CHEK1NQO1KDM4EADORA3
SCHEMBL8560926 0.71 PARP1 (0.39) PARP1BCHEACHECHEK1NQO1
SCHEMBL6229657 0.67 PRKCA (0.63) PARP1CHEK1NQO1ROCK2KDM4E
SCHEMBL8138008 0.66 HEXA (0.58) OGAHEXAHEXBTERTDYRK3

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
EP-0820985-A1 Bis imide derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-01-28 EP disclosed