SCHEMBL2227265

SCHEMBL2227265

CC(C)(C)OC(=O)CNc1nc2ccccn2c(=O)c1C=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
GAA P10253 3/20 0.54
RAB9A P51151 1/20 0.54
NPC1 O15118 1/20 0.48
MAPT P10636 5/20 0.47
NPSR1 Q6W5P4 3/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 7/20 0.45
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 3/20 0.44
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.43
GFER P55789 1/20 0.41

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
SCHEMBL2227992 0.77 KDM4E (0.56) KDM4EGAARAB9ANPC1MAPT
SCHEMBL2562453 0.77 KDM4E (0.54) KDM4EGAARAB9ANPC1MAPT
SCHEMBL2228132 0.75 KDM4E (0.56) KDM4EGAARAB9ANPC1MAPT
SCHEMBL15330012 0.75 KDM4E (0.73) KDM4EGAARAB9ANPC1MAPT
Water SCHEMBL2228975 0.74 KDM4E (0.54) KDM4EGAARAB9ANPC1MAPT
SCHEMBL2227626 0.70 ALDH1A1 (0.74) KDM4EGAARAB9ANPC1MAPT
SCHEMBL29952803 0.70 GAA (1.00) KDM4EGAARAB9AMAPTNPSR1
SCHEMBL18589547 0.70 ALDH1A1 (0.61) KDM4EGAARAB9ANPC1MAPT
SCHEMBL15331447 0.70 TBK1 (0.57) KDM4EGAARAB9ANPC1MAPT
Water SCHEMBL2227396 0.69 ALDH1A1 (0.73) KDM4EGAARAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011089457-A1 NOVEL MEDICINAL COMPOUNDS URATIM GYÁRTÓ KORLÁTOLT FELELŐSSÉGŰ TÁRSASÁG (HU) 2011-07-28 WO claimed
WO-2011089457-A1 NOVEL MEDICINAL COMPOUNDS URATIM GYÁRTÓ KORLÁTOLT FELELŐSSÉGŰ TÁRSASÁG (HU) 2011-07-28 WO disclosed
WO-2011089457-A1 NOVEL MEDICINAL COMPOUNDS URATIM GYÁRTÓ KORLÁTOLT FELELŐSSÉGŰ TÁRSASÁG (HU) 2011-07-28 WO disclosed