SCHEMBL13054552

SCHEMBL13054552

COc1ccc(Nc2nc(NC3CCCCCC3)nc(N3CCC(OC(=O)CCC(=O)O)CC3)n2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 2/20 0.47
MAPT P10636 6/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
BLM P54132 1/20 0.43
MALT1 Q9UDY8 3/20 0.41
KDM4E B2RXH2 1/20 0.40
ROCK1 Q13464 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
SCN9A Q15858 1/20 0.39
GAA P10253 1/20 0.39
GBA1 P04062 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL4839508 0.84 BCL6 (0.55) BCL6MAPTRECQLSMN1; SMN2MEN1
SCHEMBL4870953 0.81 BCL6 (0.55) BCL6MAPTRECQLSMN1; SMN2MEN1
SCHEMBL4832699 0.81 BCL6 (0.55) BCL6MAPTRECQLSMN1; SMN2MEN1
SCHEMBL3451529 0.80 MALT1 (0.45) MAPTRECQLALDH1A1MALT1GAA
Succinic Acid SCHEMBL4832741 0.79 BCL6 (0.48) BCL6MAPTSMN1; SMN2GAARAB9A
Succinic Acid SCHEMBL5033441 0.79 BCL6 (0.48) BCL6MAPTSMN1; SMN2GAARAB9A
SCHEMBL4836573 0.79 BCL6 (0.68) BCL6MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4838886 0.79 BCL6 (0.52) BCL6MAPTRECQLSMN1; SMN2MEN1
SCHEMBL5182262 0.78 MALT1 (0.47) MAPTMEN1KMT2AALDH1A1MALT1
SCHEMBL14268318 0.77 BCL6 (0.63) BCL6MAPTSMN1; SMN2MEN1KMT2A

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
US-20100297673-A1 METHODS AND COMPOSITIONS FOR UPREGULATION OF PEROXIREDOXIN ACTIVITY REDDY US THERAPEUTICS (US) 2010-11-25 US disclosed
US-20100297673-A1 METHODS AND COMPOSITIONS FOR UPREGULATION OF PEROXIREDOXIN ACTIVITY REDDY US THERAPEUTICS (US) 2010-11-25 US disclosed