SCHEMBL20195131

SCHEMBL20195131

CCn1c(=O)cc(N2CCOCC2)c2cc(NC(=O)NCC(=O)c3cccc(C)c3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
MAPT P10636 7/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NPY5R Q15761 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 2/20 0.41
ALOX12 P18054 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
GAA P10253 1/20 0.40
RAF1 P04049 1/20 0.39
BRAF P15056 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
SCHEMBL20183704 0.92 MAPT (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL20183732 0.87 ENPP2 (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21549485 0.83 MAPT (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21473965 0.81 MAPT (0.51) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL23253945 0.79 MAPT (0.45) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL20354266 0.76 PRKDC (0.54) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL20183776 0.76 KMT2A (0.61) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL20354153 0.75 KMT2A (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL20195221 0.74 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL20183546 0.70 KDM4E (0.40) ALDH1A1MAPTMEN1KMT2AKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3563851-B1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM CORP (JP) 2021-04-21 EP disclosed
EP-3327004-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORP (JP) 2020-11-04 EP disclosed
EP-3563851-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM Corporation (JP) 2019-11-06 EP disclosed
WO-2018124180-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR 富士フイルム株式会社 2018-07-05 WO disclosed
EP-3327004-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Fujifilm Corporation (JP) 2018-05-30 EP disclosed