SCHEMBL2905019

SCHEMBL2905019

CCCCNc1c(OC(=O)OCC)cnc2c1cnn2CC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.70
PDE5A O76074 1/20 0.70
MEN1 O00255 2/20 0.61
MAPT P10636 2/20 0.61
BLM P54132 2/20 0.61
PMP22 Q01453 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP1A2 P05177 2/20 0.61
GMNN O75496 1/20 0.61
USP2 O75604 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
CYP2C19 P33261 1/20 0.61
THPO P40225 1/20 0.61

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
SCHEMBL2900108 0.84 ADORA1 (0.68) ADORA1
Cartazolate SCHEMBL123839 0.83 PDE4B (1.00) PDE4BPDE5AMEN1MAPTBLM
SCHEMBL2897824 0.82 MEN1 (0.72) PDE4BPDE5AMEN1MAPTBLM
SCHEMBL2900207 0.81 MEN1 (0.69) PDE4BPDE5AMEN1MAPTBLM
SCHEMBL5928041 0.78 PDE4B (0.76) PDE4BPDE5AMEN1MAPTBLM
Ether SCHEMBL11843441 0.77 PDE4B (0.75) PDE4BPDE5AMEN1MAPTBLM
SCHEMBL2897837 0.77 ADORA1 (0.75) ADORA1
SCHEMBL11786785 0.77 PDE4B (0.74) PDE4BPDE5AMEN1MAPTBLM
Tracazolate SCHEMBL114769 0.76 MEN1 (1.00) PDE4BPDE5AMEN1MAPTBLM
SCHEMBL13987140 0.76 PDE4B (0.72) PDE4BPDE5AMEN1MAPTBLM

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
EP-1982704-B1 New molecular target of neurotoxicity EXONHIT THERAPEUTICS SA (FR) 2010-08-04 EP claimed