SCHEMBL4134207

SCHEMBL4134207

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PARP14 Q460N5 1/20 0.32
CRHR1 P34998 1/20 0.32
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 2/20 0.31
POLB P06746 1/20 0.31
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
SCHEMBL8031396 0.84 KDM4E (0.34) KDM4ENPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4125816 0.83 GPR119 (0.35) KDM4ENPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8049123 0.80 KDM4E (0.37) KDM4ENPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8048797 0.78 PDE9A (0.38) KDM4ENPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8042659 0.78 KDM4E (0.37) KDM4ENPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8045132 0.78 KDM4E (0.41) KDM4ENPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4127434 0.78 KDM4E (0.35) KDM4ENPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8033607 0.78 KDM4E (0.36) KDM4ENPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8034133 0.78 KDM4E (0.36) KDM4ENPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4132580 0.76 KDM4E (0.35) KDM4ENPSR1ALDH1A1MAPTSMN1; 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 2 patents. 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
WO-2009071707-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-06-11 WO disclosed