SCHEMBL2896877

SCHEMBL2896877

CCCNc1c(OC(=O)OCC)c(C)nc2c1cnn2CC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
MAPT P10636 2/20 0.62
BLM P54132 2/20 0.62
PMP22 Q01453 2/20 0.62
KMT2A Q03164 2/20 0.62
GMNN O75496 1/20 0.62
USP2 O75604 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
CYP2C19 P33261 1/20 0.62
THPO P40225 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62

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
SCHEMBL2897824 0.94 MEN1 (0.72) MEN1MAPTBLMPMP22KMT2A
SCHEMBL2897113 0.91 MEN1 (0.56) MEN1MAPTBLMPMP22KMT2A
SCHEMBL2904239 0.88 MEN1 (0.54) MEN1MAPTBLMPMP22KMT2A
SCHEMBL1052855 0.83 MEN1 (0.87) MEN1MAPTBLMPMP22KMT2A
SCHEMBL2899678 0.81 MEN1 (0.48) MEN1MAPTBLMPMP22KMT2A
SCHEMBL2905537 0.79 MEN1 (0.47) MEN1MAPTBLMPMP22KMT2A
SCHEMBL5927862 0.78 MEN1 (0.69) MEN1MAPTBLMPMP22KMT2A
Tracazolate SCHEMBL114769 0.77 MEN1 (1.00) MEN1MAPTBLMPMP22KMT2A
Tracazolate SCHEMBL1061780 0.76 MEN1 (0.98) MEN1MAPTBLMPMP22KMT2A
SCHEMBL2905019 0.75 PDE4B (0.70) MEN1MAPTBLMPMP22KMT2A

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