SCHEMBL5085945

SCHEMBL5085945

CCOC(=O)c1cccc([AsH]c2ccc(OC)cc2OCCN(C)C)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 2/20 0.40
PTPN1 P18031 2/20 0.39
ESR1 P03372 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36

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
SCHEMBL5093175 0.87 KDM4E (0.43) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL5085941 0.86 MTNR1A (0.41) ALDH1A1KDM4EHSD17B10HPGDPTPN1
SCHEMBL1963248 0.81 CDC25B (0.44) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL1964675 0.76 CDC25B (0.46) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL1961738 0.72 CDC25B (0.45) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL1962084 0.71 MEN1 (0.46) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL1964234 0.71 HRH3 (0.50) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL1963245 0.71 RXFP1 (0.41) ALDH1A1KDM4EHSD17B10MTNR1AMTNR1B
SCHEMBL5093164 0.71 KDM4E (0.45) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL1964177 0.70 BRPF1 (0.43) ALDH1A1KDM4EKMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919892-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2008-05-14 EP disclosed
WO-2007027527-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2007-03-08 WO disclosed