SCHEMBL15047086

SCHEMBL15047086

CCCOc1ccc(-n2nc(C(=O)OCC)c3csc(N)c3c2=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 12/20 0.80
▸ MAPT P10636 12/20 0.80
▸ APP P05067 5/20 0.80
▸ KDM4E B2RXH2 4/20 0.80
▸ ALDH1A1 P00352 4/20 0.80
▸ ALOX15 P16050 2/20 0.80
▸ HSD17B10 Q99714 2/20 0.80
▸ MAPK1 P28482 1/20 0.80
▸ CASP6 P55212 1/20 0.80
▸ ALOX12 P18054 3/20 0.78
▸ CASP1 P29466 2/20 0.75
▸ MEN1 O00255 1/20 0.75
▸ KMT2A Q03164 1/20 0.75
▸ L3MBTL1 Q9Y468 1/20 0.75
▸ APAF1 O14727 1/20 0.71
▸ CACNA1B Q00975 1/20 0.71
▸ APBA1 Q02410 1/20 0.71

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
SCHEMBL15047100 0.93 ADORA1 (0.78) ADORA1MAPTAPPKDM4EALDH1A1
SCHEMBL16379103 0.93 ADORA1 (0.78) ADORA1MAPTAPPKDM4EALDH1A1
SCHEMBL7877231 0.89 ADORA1 (1.00) ADORA1MAPTAPPKDM4EALDH1A1
SCHEMBL14660061 0.88 MAPT (0.88) ADORA1MAPTAPPKDM4EALDH1A1
SCHEMBL16379167 0.88 MAPT (1.00) ADORA1MAPTAPPKDM4EALDH1A1
SCHEMBL14659972 0.87 ADORA1 (1.00) ADORA1MAPTAPPKDM4EALDH1A1
SCHEMBL1491866 0.86 ADORA1 (0.81) ADORA1MAPTAPPKDM4EALDH1A1
SCHEMBL1491896 0.86 MAPT (0.84) ADORA1MAPTAPPKDM4EALDH1A1
SCHEMBL16379138 0.86 MAPT (1.00) ADORA1MAPTAPPKDM4EALDH1A1
SCHEMBL1491879 0.86 ADORA1 (1.00) ADORA1MAPTAPPKDM4EALDH1A1

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-2013090497-A1 HETEROCYCLIC COMPOUNDS AS IMAGING PROBES OF TAU PATHOLOGY GE HEALTHCARE LIMITED (GB) 2013-06-20 — — WO disclosed
Send feedback