SCHEMBL4125339

SCHEMBL4125339

CN(c1nc2c(C(C)(C)C)nn(C)c2c(=O)[nH]1)C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33

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
SCHEMBL8049091 0.79 KDM4E (0.36) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL8045132 0.74 KDM4E (0.41) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4125343 0.73 KMT2A (0.41) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4901385 0.70 KDM4E (0.44) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4123024 0.69 ALDH1A1 (0.36) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4903972 0.69 KDM4E (0.46) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL8034133 0.69 KDM4E (0.36) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4117755 0.67 KDM4E (0.41) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4140662 0.67 KDM4E (0.35) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4122386 0.66 KDM4E (0.36) 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