SCHEMBL1984367

SCHEMBL1984367

O=C(Nc1ccc(-c2nc3ccc(O)cc3s2)cc1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.76
MMP9 P14780 1/20 0.76
MMP8 P22894 1/20 0.76
MMP13 P45452 1/20 0.76
SULT1A1 P50225 3/20 0.70
DYRK1A Q13627 3/20 0.70
APP P05067 5/20 0.62
MAPT P10636 3/20 0.62
SNCA P37840 1/20 0.59
TP53 P04637 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 1/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 1/20 0.58
LMNA P02545 2/20 0.56
DYRK1B Q9Y463 2/20 0.56
KDM4E B2RXH2 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55

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
SCHEMBL1998019 0.88 APP (0.70) MMP2MMP9MMP8MMP13SULT1A1
SCHEMBL2192885 0.88 APP (0.70) MMP2MMP9MMP8MMP13SULT1A1
SCHEMBL2196490 0.88 SULT1A1 (0.64) MMP2MMP9MMP8MMP13SULT1A1
SCHEMBL1984153 0.87 MMP2 (0.74) MMP2MMP9MMP8MMP13APP
SCHEMBL1987139 0.86 MMP2 (1.00) MMP2MMP9MMP8MMP13MAPT
SCHEMBL2194415 0.85 APP (0.72) MMP2MMP9MMP8MMP13SULT1A1
SCHEMBL2193632 0.84 SULT1A1 (0.65) MMP2MMP9MMP8MMP13SULT1A1
SCHEMBL12422218 0.84 SULT1A1 (0.68) MMP2MMP9MMP8MMP13SULT1A1
SCHEMBL1983311 0.84 MMP2 (0.69) MMP2MMP9MMP8MMP13APP
SCHEMBL12421981 0.84 MAPT (0.74) MMP2MMP9MMP8MMP13SULT1A1

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