SCHEMBL4139984

SCHEMBL4139984

Cn1nc(C(C)(C)C)c2nc(N(CCC(C)(C)C)CC3CCN(S(=O)(=O)c4c[nH]cn4)CC3)[nH]c(=O)c21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
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 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
HIF1A Q16665 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
PDE5A O76074 5/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL4131778 0.91 NPSR1 (0.36) ALDH1A1NPSR1MAPTSMN1; SMN2POLB
SCHEMBL8042659 0.73 KDM4E (0.37) ALDH1A1NPSR1MAPTSMN1; SMN2POLB
SCHEMBL8045132 0.73 KDM4E (0.41) ALDH1A1NPSR1MAPTSMN1; SMN2POLB
SCHEMBL4132580 0.73 KDM4E (0.35) ALDH1A1NPSR1MAPTSMN1; SMN2POLB
SCHEMBL8034133 0.73 KDM4E (0.36) ALDH1A1NPSR1MAPTSMN1; SMN2POLB
SCHEMBL8033607 0.73 KDM4E (0.36) ALDH1A1NPSR1MAPTSMN1; SMN2POLB
SCHEMBL3995952 0.72 KDM4E (0.39) ALDH1A1NPSR1MAPTSMN1; SMN2POLB
SCHEMBL8049123 0.72 KDM4E (0.37) ALDH1A1NPSR1MAPTSMN1; SMN2POLB
SCHEMBL4897525 0.70 KDM4E (0.44) ALDH1A1NPSR1MAPTSMN1; SMN2POLB
SCHEMBL4127434 0.70 KDM4E (0.35) ALDH1A1NPSR1MAPTSMN1; SMN2POLB

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