SCHEMBL6189501

SCHEMBL6189501

COC(=O)c1cc(NS(=O)(=O)CCCCCl)c2[nH]cnc2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CREBBP Q92793 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.32
OPRK1 P41145 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
SCHEMBL5223292 0.83 KDM4E (0.39) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL13326134 0.75 HPGD (0.47) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL29159753 0.72 POLB (0.43) KDM4EALDH1A1MAPTCREBBPMKNK1
SCHEMBL5220170 0.72 ALDH1A1 (0.44) KDM4EHPGDALDH1A1MAPTKMT2A
SCHEMBL1479464 0.71 ALDH1A1 (0.48) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL5217332 0.71 KDM4E (0.38) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL5217321 0.71 KDM4E (0.38) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL5218309 0.71 VCAM1 (0.42) KDM4EHPGDALDH1A1MAPTKMT2A
SCHEMBL5218597 0.71 HPGD (0.36) KDM4EHPGDALDH1A1MAPTHSD17B10
SCHEMBL13229561 0.71 HPGD (0.48) KDM4EHPGDALDH1A1MAPTSMN1; 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
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO disclosed