SCHEMBL5222780

SCHEMBL5222780

COC(=O)c1cc(N)cc(N2CCCCS2(O)O)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.38
NPC1 O15118 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 7/20 0.35
HPGD P15428 3/20 0.35
OPRK1 P41145 1/20 0.34
HSD17B10 Q99714 3/20 0.34
ALOX12 P18054 1/20 0.34
GAA P10253 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
CFTR P13569 1/20 0.33
MAPT P10636 2/20 0.32

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
SCHEMBL5222772 0.88 KDM4E (0.41) KDM4ENPC1NPSR1SMN1; SMN2RAB9A
SCHEMBL5223226 0.86 KDM4E (0.38) KDM4ENPC1NPSR1SMN1; SMN2RAB9A
SCHEMBL5220767 0.82 ALDH1A1 (0.42) KDM4ESMN1; SMN2POLBMEN1KMT2A
SCHEMBL5221149 0.81 KDM4E (0.46) KDM4ENPC1NPSR1SMN1; SMN2RAB9A
SCHEMBL5220495 0.77 KDM4E (0.44) KDM4ENPC1NPSR1SMN1; SMN2RAB9A
SCHEMBL5218548 0.74 NPC1 (0.40) KDM4ENPC1NPSR1SMN1; SMN2RAB9A
SCHEMBL5223229 0.74 KDM4E (0.41) KDM4ENPC1NPSR1SMN1; SMN2RAB9A
SCHEMBL5217576 0.73 KDM4E (0.33) KDM4ENPC1NPSR1SMN1; SMN2RAB9A
SCHEMBL5223575 0.73 TPMT (0.43) KDM4ESMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL5218055 0.73 CTSD (0.44) KDM4ENPC1NPSR1SMN1; SMN2RAB9A

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