SCHEMBL691998

SCHEMBL691998

CC(C)(C)OC(=O)C1C(=O)Nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
ALDH1A1 P00352 7/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TDP1 Q9NUW8 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GAA P10253 1/20 0.54
IDO1 P14902 3/20 0.50
KDM4E B2RXH2 7/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
NLRP3 Q96P20 1/20 0.46
POLB P06746 1/20 0.45
MAPK10 P53779 1/20 0.44
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.40
TDO2 P48775 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
SCHEMBL7681777 0.83 MAPT (0.58) MAPTALDH1A1L3MBTL1TDP1MEN1
SCHEMBL2299750 0.80 CDYL2 (0.38) MAPTALDH1A1L3MBTL1TDP1MEN1
SCHEMBL7218237 0.79 MAPT (0.74) MAPTALDH1A1L3MBTL1TDP1MEN1
SCHEMBL6297845 0.77 MAPT (0.59) MAPTALDH1A1L3MBTL1TDP1MEN1
SCHEMBL5805590 0.77 MAPT (0.52) MAPTALDH1A1L3MBTL1TDP1MEN1
SCHEMBL5279457 0.75 IDO1 (0.59) MAPTALDH1A1L3MBTL1GAAIDO1
SCHEMBL1461839 0.75 MAPT (0.56) MAPTALDH1A1L3MBTL1TDP1MEN1
SCHEMBL7946700 0.74 HDAC3 (0.47) ALDH1A1KMT2AGAAPOLBMAPK1
SCHEMBL7093706 0.74 MAPT (0.55) MAPTALDH1A1L3MBTL1TDP1MEN1
SCHEMBL10594322 0.73 MAPT (0.51) MAPTALDH1A1L3MBTL1TDP1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421866-A1 3,3'-SPIROINDOLINONE DERIVATIVES AND THEIR USE FOR CANCER F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121995-A1 3,3'-SPIROINDOLINONE DERIVATIVES AND THEIR USE FOR CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
EP-1696906-A1 NOVEL THERAPEUTIC USE OF INDOLINONE DERIVATIVES Leo Pharma A/S (DK) 2006-09-06 EP disclosed
WO-2005058309-A1 NOVEL THERAPEUTIC USE OF INDOLINONE DERIVATIVES LEO PHARMA A/S (DK) 2005-06-30 WO disclosed