SCHEMBL8043252

SCHEMBL8043252

CCN(CC)C(=O)CN1CCN(CCN(CC2CCCCC2)c2nc3c(C(C)(C)C)nn(C)c3c(=O)[nH]2)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
PDE5A O76074 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
RAB9A P51151 1/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
ABCC5 O15440 1/20 0.30
MDM2 Q00987 1/20 0.30

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
SCHEMBL4139405 0.91 KDM4E (0.34) KDM4EPOLBALDH1A1NPSR1MAPT
SCHEMBL8042659 0.89 KDM4E (0.37) KDM4EPOLBALDH1A1NPSR1MAPT
SCHEMBL4117716 0.87 SIGMAR1 (0.33) KDM4EPOLBALDH1A1NPSR1MAPT
SCHEMBL4132580 0.87 KDM4E (0.35) KDM4EPOLBALDH1A1NPSR1MAPT
SCHEMBL8042867 0.86 KDM4E (0.33) KDM4EPOLBALDH1A1NPSR1MAPT
SCHEMBL4134627 0.86 MAPT (0.34) KDM4EPOLBALDH1A1NPSR1MAPT
SCHEMBL4127434 0.83 KDM4E (0.35) KDM4EPOLBALDH1A1NPSR1MAPT
SCHEMBL8045132 0.82 KDM4E (0.41) KDM4EPOLBALDH1A1NPSR1MAPT
SCHEMBL8049123 0.82 KDM4E (0.37) KDM4EPOLBALDH1A1NPSR1MAPT
SCHEMBL4123024 0.81 ALDH1A1 (0.36) KDM4EPOLBALDH1A1NPSR1MAPT

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