SCHEMBL2905477

SCHEMBL2905477

CCOC(=O)Oc1c(C)nc2c(cnn2Cc2ccccc2)c1N

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDE4B Q07343 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2899678 0.86 MEN1 (0.48) MAPK1ALDH1A1TP53NPSR1LMNA
SCHEMBL2897768 0.84
SCHEMBL1058304 0.83 MAPK1 (0.58) MAPK1
SCHEMBL2905021 0.82
SCHEMBL5927898 0.79 POLB (0.50)
SCHEMBL9688905 0.78 GABRP (0.52) MAPK1ALDH1A1KDM4ELMNA
SCHEMBL29049928 0.77 LMNA (0.43) MAPK1ALDH1A1KDM4ETP53NPSR1
SCHEMBL10961113 0.76 MAPK1 (0.52) MAPK1ALDH1A1TP53NPSR1PDE4B
SCHEMBL10965056 0.75 GABRP (0.57)
SCHEMBL2903441 0.74

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