SCHEMBL359189

SCHEMBL359189

Nc1ccn(-c2nc3ccc(O)cc3s2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
GAA P10253 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
AR P10275 1/20 0.50
APP P05067 6/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
MAPT P10636 4/20 0.40
SULT1A1 P50225 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
PIK3CD O00329 1/20 0.40

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
SCHEMBL360263 0.84 RAB9A (0.55) HTTGAAAPPMAPTSMN1; SMN2
SCHEMBL12505621 0.83 RAB9A (0.38) HTTGAAL3MBTL1APPCA12
SCHEMBL360852 0.80 MAPT (0.58) HTTAPPCA12CA1CA2
SCHEMBL371310 0.74 CA1 (0.42) HTTGAACA12CA1CA2
SCHEMBL360416 0.71 CA2 (0.41) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL31298 0.71 HTT (1.00) HTTGAAL3MBTL1APPCA12
Hydrochloric Acid SCHEMBL11729261 0.70 HTT (0.96) HTTGAAL3MBTL1APPCA12
SCHEMBL2090640 0.68 AR (0.67) HTTGAAL3MBTL1ARMAPT
SCHEMBL2217147 0.67 HTT (0.66) HTTGAAL3MBTL1ARAPP
SCHEMBL13279558 0.67 AR (0.70) HTTGAAL3MBTL1ARMAPT

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
WO-2012007510-A1 COMPOUNDS FOR BINDING AND IMAGING AMYLOID PLAQUES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 WO disclosed