SCHEMBL20195186

SCHEMBL20195186

CCn1c(=O)cc(N2CCOCC2)c2cc(-n3c(C4CCC=CC4C)c[nH]c3=O)ccc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
METAP2 P50579 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CASP1 P29466 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 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
SCHEMBL20183815 0.77 GAA (0.40) GAAMETAP2KDM4EHPGDSMN1; SMN2
SCHEMBL20806222 0.76 GAA (0.40) GAAMETAP2KDM4EHPGDSMN1; SMN2
SCHEMBL20183663 0.76 TSHR (0.41) GAAMETAP2KDM4EHPGDSMN1; SMN2
SCHEMBL20354296 0.74 ALDH1A1 (0.37) GAAMETAP2KDM4EHPGDSMN1; SMN2
SCHEMBL20183547 0.69 GAA (0.47) GAAMETAP2KDM4EHPGDSMN1; SMN2
SCHEMBL20354266 0.69 PRKDC (0.54) GAAKDM4EHPGDSMN1; SMN2NPSR1
SCHEMBL20195108 0.68 ALDH1A1 (0.40) KDM4EHPGDSMN1; SMN2NPSR1HSD17B10
SCHEMBL20183597 0.68 GAA (0.46) GAAMETAP2KDM4EHPGDSMN1; SMN2
SCHEMBL20183530 0.67 BRD4 (0.38) GAAMETAP2KDM4EHPGDSMN1; SMN2
SCHEMBL20183818 0.67 BRD4 (0.37) GAAMETAP2KDM4EHPGDSMN1; SMN2

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-3327004-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORP (JP) 2020-11-04 EP disclosed
EP-3327004-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Fujifilm Corporation (JP) 2018-05-30 EP disclosed