SCHEMBL5506330

SCHEMBL5506330

O=C1NC(=O)c2c(Oc3ccccc3)cccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.51
MAOB P27338 3/20 0.51
STK10 O94804 2/20 0.47
SLK Q9H2G2 2/20 0.47
GSK3B P49841 1/20 0.47
ADORA2A P29274 1/20 0.43
HKDC1 Q2TB90 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BRD4 O60885 5/20 0.42
NSD2 O96028 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL262473 0.87 GSK3B (0.50) MAOAMAOBSTK10SLKGSK3B
SCHEMBL16628857 0.85 MAOA (0.41) MAOAMAOBSTK10SLKGSK3B
SCHEMBL28812042 0.82 MAOA (0.59) MAOAMAOBGSK3BKMT2AMAPT
SCHEMBL2040632 0.82 PARP1 (0.53) MAOAMAOBSTK10SLKGSK3B
SCHEMBL9550305 0.82 KCNA5 (0.40) MAOAMAOBSTK10SLKGSK3B
SCHEMBL9768590 0.80 KDM4E (0.51) STK10SLKGSK3BKMT2ACASP3
SCHEMBL29050703 0.80 MAOA (0.53) MAOAMAOBSTK10SLKGSK3B
Diphenylether SCHEMBL27584098 0.80 MAOA (0.53) MAOAMAOBSTK10SLKGSK3B
SCHEMBL28099802 0.80 GSK3B (0.50) STK10SLKGSK3BKMT2APOLB
SCHEMBL30830771 0.78 HTR2A (0.42) STK10SLKCASP3GAAKDM4E

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-1848688-A2 INHIBITORS OF TRANSTHYRETIN AMYLOID FIBRIL FORMATION The Scripps Research Institute (US) 2007-10-31 EP disclosed
WO-2006086517-A2 INHIBITORS OF TRANSTHYRETIN AMYLOID FIBRIL FORMATION THE SCRIPPS RESEARCH INSTITUTE (US) 2006-08-17 WO disclosed