SCHEMBL1984366

SCHEMBL1984366

NC(=O)c1ccccc1-c1ccc(-c2nc3ccc(O)cc3s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.60
SULT1A1 P50225 4/20 0.56
MAPT P10636 5/20 0.55
KDM4E B2RXH2 4/20 0.55
RAB9A P51151 4/20 0.55
LMNA P02545 3/20 0.55
NPC1 O15118 3/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 2/20 0.55
GLA P06280 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
THRB P10828 1/20 0.53
NFKB1 P19838 3/20 0.50
NFKB2 Q00653 3/20 0.50
RELA Q04206 3/20 0.50
POLB P06746 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MGAM O43451 2/20 0.47

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
SCHEMBL29787 0.90 MAPT (0.52) APPSULT1A1MAPTKDM4ERAB9A
SCHEMBL1984152 0.87 MAPT (0.59) APPMAPTKDM4ERAB9ALMNA
SCHEMBL1984490 0.84 APP (0.61) APPSULT1A1KDM4ERAB9ANPC1
SCHEMBL1987630 0.82 CA1 (0.52) APPMAPTKDM4ERAB9ALMNA
SCHEMBL3237813 0.78 APP (0.71) APPSULT1A1MAPTKDM4ERAB9A
SCHEMBL5423269 0.78 APP (0.81) APPSULT1A1MAPTKDM4ERAB9A
SCHEMBL5027039 0.77 MAPT (0.63) APPMAPTKDM4ERAB9ALMNA
SCHEMBL1988207 0.77 CHEK1 (0.46) APPMAPTKDM4ERAB9ANPC1
SCHEMBL5768391 0.77 MAPT (0.57) APPMAPTKDM4ERAB9ALMNA
SCHEMBL14157073 0.76 APP (0.68) APPSULT1A1MAPTKDM4ERAB9A

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-2338059-A1 LIGANDS FOR AGGREGATED TAU MOLECULES Wista Laboratories Ltd. (SG) 2011-06-29 EP disclosed