SCHEMBL8209629

SCHEMBL8209629

O=c1c2c(Br)c3c(=O)n(-c4ccccc4)c(=O)c3c(Br)c2c(=O)n1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
GSK3A P49840 6/20 0.46
GSK3B P49841 6/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 3/20 0.44
ALDH1A1 P00352 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
PGR P06401 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
QSOX1 O00391 1/20 0.38

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
SCHEMBL12660977 0.85 MAPK1 (0.65) MAPK1GSK3AGSK3BGAANPSR1
SCHEMBL5306506 0.80 MAPK1 (0.71) MAPK1GSK3AGSK3BGAANPSR1
SCHEMBL8208644 0.77 MAPK1 (0.56) MAPK1GSK3AGSK3BGAANPSR1
SCHEMBL10607179 0.74 MAPK1 (0.71) MAPK1GSK3AGSK3BGAANPSR1
SCHEMBL14505675 0.73 MAPK1 (0.75) MAPK1GSK3AGSK3BGAANPSR1
SCHEMBL10438652 0.71 MAPK1 (0.60) MAPK1GSK3AGSK3BGAANPSR1
SCHEMBL13310390 0.71 MAPK1 (0.74) MAPK1GSK3AGSK3BGAANPSR1
SCHEMBL23312315 0.71 PDE7A (0.49) MAPK1GSK3AGSK3BGAAALDH1A1
SCHEMBL22680260 0.71 MAPK1 (0.53) MAPK1GSK3AGSK3BGAANPSR1
SCHEMBL22680259 0.70 MAPK1 (0.43) MAPK1GSK3AGSK3BGAANPSR1

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
US-6046342-A 3, 6-bis[4-(alkyloxy) phenyloxy] pyromellitic dianhydrides and process for preparing the same KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2000-04-04 US disclosed