SCHEMBL8031396

SCHEMBL8031396

CC(C)CN(CC1CCN(C(=O)C2CC2)CC1)c1nc2c(C(C)(C)C)nn(C)c2c(=O)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 4/20 0.33
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
CRHR1 P34998 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
HIF1A Q16665 1/20 0.30
MCOLN3 Q8TDD5 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
SCHEMBL4140662 0.90 KDM4E (0.35) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4125816 0.88 GPR119 (0.35) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4134207 0.84 KDM4E (0.35) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4117716 0.83 SIGMAR1 (0.33) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL8043827 0.81 KDM4E (0.34) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL8049123 0.79 KDM4E (0.37) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4122386 0.78 KDM4E (0.36) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL8045132 0.77 KDM4E (0.41) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4127434 0.77 KDM4E (0.35) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL4131082 0.76 MAPT (0.34) 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