SCHEMBL5220170

SCHEMBL5220170

COC(=O)c1cc(NS(=O)(=O)CCCCCl)c(C)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
PKM P14618 1/20 0.44
VCAM1 P19320 1/20 0.43
LMNA P02545 2/20 0.41
CMA1 P23946 1/20 0.41
MAPT P10636 5/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.37
KMT2A Q03164 4/20 0.36
USP10 Q14694 1/20 0.36
MEN1 O00255 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36

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
SCHEMBL5222330 0.97 ALDH1A1 (0.45) ALDH1A1PKMVCAM1LMNACMA1
SCHEMBL5218309 0.88 VCAM1 (0.42) ALDH1A1PKMVCAM1LMNACMA1
SCHEMBL27649978 0.86 ALDH1A1 (0.40) ALDH1A1PKMVCAM1LMNACMA1
SCHEMBL5220531 0.85 VCAM1 (0.43) ALDH1A1PKMVCAM1LMNACMA1
SCHEMBL27629953 0.85 ALDH1A1 (0.41) ALDH1A1PKMVCAM1LMNACMA1
SCHEMBL5225589 0.79 ALDH1A1 (0.49) ALDH1A1VCAM1LMNAMAPTPOLB
SCHEMBL13326134 0.75 HPGD (0.47) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL5224471 0.74 POLB (0.47) ALDH1A1LMNAMAPTHPGDPOLB
SCHEMBL989006 0.74 VCAM1 (0.56) ALDH1A1PKMVCAM1LMNAMAPT
SCHEMBL1479464 0.74 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKDM4EHPGD

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
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed