SCHEMBL8042867

SCHEMBL8042867

CC(C)C(=O)N1CCN(CCN(CC2CCCCC2)c2nc3c(C(C)(C)C)nn(C)c3c(=O)[nH]2)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
POLB P06746 2/20 0.32
CHRM3 P20309 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL4117716 0.90 SIGMAR1 (0.33) KDM4EPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL4139405 0.89 KDM4E (0.34) KDM4EPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL8047602 0.87 PDE5A (0.38)
SCHEMBL4134627 0.85 MAPT (0.34) KDM4EPOLBALDH1A1MAPTNPSR1
SCHEMBL8043827 0.82 KDM4E (0.34) KDM4EPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL8045132 0.82 KDM4E (0.41) KDM4EPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL4127434 0.81 KDM4E (0.35) KDM4EPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL8034133 0.81 KDM4E (0.36) KDM4EPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL4123024 0.80 ALDH1A1 (0.36) KDM4EPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL4140662 0.80 KDM4E (0.35) KDM4EPOLBALDH1A1MAPTSMN1; 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