SCHEMBL5222772

SCHEMBL5222772

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
NPC1 O15118 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LDHA P00338 1/20 0.38
POLB P06746 3/20 0.37
CTSD P07339 2/20 0.36
BACE1 P56817 2/20 0.36
BACE2 Q9Y5Z0 2/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
TP53 P04637 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
OPRK1 P41145 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL5222780 0.88 KDM4E (0.38) KDM4ENPC1NPSR1RAB9ASMN1; SMN2
SCHEMBL5223229 0.86 KDM4E (0.41) KDM4ENPC1NPSR1RAB9ASMN1; SMN2
SCHEMBL5223775 0.82 KDM4E (0.39) KDM4ENPC1NPSR1RAB9ASMN1; SMN2
SCHEMBL5220771 0.82 ALDH1A1 (0.42) SMN1; SMN2LDHAPOLBALDH1A1OPRK1
SCHEMBL5219076 0.82 BACE1 (0.47) LDHAPOLBCTSDBACE1BACE2
SCHEMBL5221138 0.81 KDM4E (0.49) KDM4ENPC1NPSR1RAB9ASMN1; SMN2
SCHEMBL5220487 0.77 KDM4E (0.47) KDM4ENPC1NPSR1RAB9ASMN1; SMN2
SCHEMBL5218542 0.74 POLB (0.49) KDM4ENPC1NPSR1RAB9ASMN1; SMN2
SCHEMBL5223226 0.74 KDM4E (0.38) KDM4ENPC1NPSR1RAB9ASMN1; SMN2
SCHEMBL5223581 0.73 KMT2A (0.43) KDM4ERAB9ASMN1; SMN2POLBALDH1A1

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