SCHEMBL8866646

SCHEMBL8866646

[O]CCc1ccc(NC(=O)c2ccncc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.71
MAPK1 P28482 3/20 0.61
KDM4E B2RXH2 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HTT P42858 1/20 0.60
KMT2A Q03164 2/20 0.56
JAK2 O60674 1/20 0.56
TYK2 P29597 1/20 0.56
LMNA P02545 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
NT5E P21589 1/20 0.53
POLB P06746 3/20 0.53
MAPT P10636 2/20 0.51
NAMPT P43490 2/20 0.51
HIF1A Q16665 1/20 0.50
EPAS1 Q99814 1/20 0.50
STAT3 P40763 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL8866653 0.87 GAA (0.71) GAAMAPK1KDM4EL3MBTL1HTT
SCHEMBL23291297 0.86 GAA (0.69) GAAMAPK1KDM4EL3MBTL1HTT
SCHEMBL9798362 0.85 GAA (0.79) GAAMAPK1KDM4EL3MBTL1HTT
SCHEMBL19242053 0.84 GAA (1.00) GAAMAPK1KDM4EL3MBTL1HTT
SCHEMBL8867694 0.83 PTPN1 (0.62) KDM4EKMT2AALDH1A1POLBMAPT
SCHEMBL8254844 0.82 GAA (0.73) GAAMAPK1KDM4EL3MBTL1HTT
SCHEMBL7087581 0.82 GAA (0.73) GAAMAPK1KDM4EL3MBTL1HTT
SCHEMBL8867389 0.82 RAB9A (0.72) GAAMAPK1KDM4EHTTKMT2A
SCHEMBL23928197 0.82 GAA (0.63) GAAMAPK1KDM4EL3MBTL1HTT
SCHEMBL5754890 0.81 KDM4E (0.71) GAAMAPK1KDM4EL3MBTL1HTT

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
US-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed