SCHEMBL4132580

SCHEMBL4132580

Cn1nc(C(C)(C)C)c2nc(N(CCN3CCNCC3)CC3CCCCC3)[nH]c(=O)c21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
HIF1A Q16665 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31

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
SCHEMBL8042659 0.94 KDM4E (0.37) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL3995952 0.89 KDM4E (0.39) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4139405 0.89 KDM4E (0.34) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL8045132 0.87 KDM4E (0.41) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL8043252 0.87 KDM4E (0.36) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4117716 0.87 SIGMAR1 (0.33) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL8042867 0.86 KDM4E (0.33) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4123024 0.85 ALDH1A1 (0.36) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL8049123 0.84 KDM4E (0.37) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL3995930 0.84 KDM4E (0.38) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2

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
WO-2009071707-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-06-11 WO disclosed