SCHEMBL20195211

SCHEMBL20195211

CCn1c(=O)cc(N2CCOCC2)c2cc(C(I)C(=O)c3ccccc3O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 7/20 0.37
ALDH1A1 P00352 6/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
LMNA P02545 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NPY5R Q15761 2/20 0.37
MAPK1 P28482 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
PRKDC P78527 1/20 0.34

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
SCHEMBL20183684 0.79 TP53 (0.42) KDM4EHPGDSMN1; SMN2NPSR1HSD17B10
SCHEMBL20183547 0.75 GAA (0.47) KDM4EHPGDSMN1; SMN2NPSR1HSD17B10
SCHEMBL20354266 0.73 PRKDC (0.54) KDM4EHPGDSMN1; SMN2NPSR1HSD17B10
SCHEMBL20183597 0.72 GAA (0.46) KDM4EHPGDSMN1; SMN2NPSR1HSD17B10
SCHEMBL20183617 0.71 ALDH1A1 (0.42) KDM4EHPGDSMN1; SMN2NPSR1HSD17B10
SCHEMBL20183560 0.71 TP53 (0.44) KDM4EHPGDSMN1; SMN2NPSR1HSD17B10
SCHEMBL20183852 0.71 PRKDC (0.47) KDM4EHPGDSMN1; SMN2NPSR1HSD17B10
SCHEMBL20354153 0.70 KMT2A (0.46) KDM4EHPGDSMN1; SMN2NPSR1HSD17B10
SCHEMBL20183652 0.70 ALDH1A1 (0.40) KDM4EHPGDSMN1; SMN2NPSR1HSD17B10
SCHEMBL20183859 0.70 RORC (0.42) KDM4EHPGDSMN1; SMN2NPSR1HSD17B10

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