SCHEMBL5220487

SCHEMBL5220487

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 6/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
PIK3C3 Q8NEB9 2/20 0.39
USP2 O75604 1/20 0.38
CHEK1 O14757 1/20 0.36
ALOX15 P16050 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL5221138 0.96 KDM4E (0.49) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5220495 0.88 KDM4E (0.44) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5219375 0.86 KDM4E (0.48) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5221149 0.84 KDM4E (0.46) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5219776 0.83 KDM4E (0.50) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5222633 0.81 CTSD (0.48) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5217410 0.81 MEN1 (0.43) KDM4ERAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5218051 0.78 BACE1 (0.51) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5223581 0.78 KMT2A (0.43) KDM4ERAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5217567 0.78 POLB (0.37) KDM4ENPC1RAB9ASMN1; SMN2NPSR1

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