SCHEMBL3141045

SCHEMBL3141045

CC(C)CCn1cnc2c(=O)[nH]c(=S)[nH]c21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.39
PNP P00491 1/20 0.39
HTT P42858 1/20 0.38
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DAO P14920 1/20 0.35
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HPRT1 P00492 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
SCHEMBL8884657 0.86 PNP (0.51) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL5431750 0.84 GAA (0.48) KMT2AMEN1ALDH1A1GAAPNP
SCHEMBL13728723 0.82 GAA (0.59) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL5428518 0.81 GAA (0.40) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL7416953 0.81 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL4090390 0.76 CYP1A2 (0.46) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL7329915 0.76 KDM4E (0.42) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL7367989 0.76 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL4379221 0.76 KMT2A (0.45) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL5436105 0.75 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1KDM4EGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200616-A1 MIPO INHIBITORS FOR THE TREATMENT OF HUNTINGTON'S DISEASE AND MULTIPLE SYSTEM ATROPHY AstraZeneca AB (SE) 2010-06-30 EP claimed
WO-2009025618-A1 MIPO INHIBITORS FOR THE TREATMENT OF HUNTINGTON'S DISEASE AND MULTIPLE SYSTEM ATROPHY ASTRAZENECA AB (SE) 2009-02-26 WO claimed
EP-2200616-A1 MIPO INHIBITORS FOR THE TREATMENT OF HUNTINGTON'S DISEASE AND MULTIPLE SYSTEM ATROPHY AstraZeneca AB (SE) 2010-06-30 EP disclosed
WO-2009025617-A1 COMBINATIONS CONTAINING MPO INHIBITORS AGAINST NEUROINFLAMMATORY DISORDERS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
WO-2009025618-A1 MIPO INHIBITORS FOR THE TREATMENT OF HUNTINGTON'S DISEASE AND MULTIPLE SYSTEM ATROPHY ASTRAZENECA AB (SE) 2009-02-26 WO disclosed