SCHEMBL5220495

SCHEMBL5220495

COC(=O)c1cc(N)c(OC)c(N2CCCS2(O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
ATM Q13315 1/20 0.37
USP2 O75604 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.33
POLB P06746 2/20 0.33
CA12 O43570 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
SCHEMBL5221149 0.96 KDM4E (0.46) KDM4ESMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL5220487 0.88 KDM4E (0.47) KDM4ESMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL5221138 0.84 KDM4E (0.49) KDM4ESMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL5219772 0.83 KDM4E (0.47) KDM4ESMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL5222641 0.81 CTSD (0.41) KDM4ESMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL5223575 0.78 TPMT (0.43) KDM4ESMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL5217576 0.78 KDM4E (0.33) KDM4ESMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL5218055 0.78 CTSD (0.44) KDM4ESMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL5217580 0.78 KDM4E (0.33) KDM4ESMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL5222780 0.77 KDM4E (0.38) KDM4ESMN1; SMN2NPC1RAB9ANPSR1

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