SCHEMBL8348692

SCHEMBL8348692

CCNc1nc(Cl)cc(-c2ccc(OC)c(OC)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.53
MAPT P10636 6/20 0.51
TP53 P04637 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
AGTR1 P30556 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DYRK1A Q13627 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.47
TSHR P16473 3/20 0.47
HSD17B10 Q99714 3/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
ADORA3 P0DMS8 2/20 0.46
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL13074384 0.90 MAPT (0.54) HDAC1MAPTTP53MEN1KMT2A
SCHEMBL12933415 0.86 MAPT (0.51) HDAC1MAPTTP53MEN1KMT2A
SCHEMBL8348225 0.80 DYRK1A (0.67) HDAC1MAPTTP53SMN1; SMN2AGTR1
SCHEMBL2175274 0.78 MEN1 (0.72) MAPTTP53MEN1KMT2ASMN1; SMN2
SCHEMBL10686590 0.77 MEN1 (0.57) MAPTTP53MEN1KMT2ASMN1; SMN2
SCHEMBL4502579 0.77 KDM4E (0.68) MAPTTP53MEN1KMT2ASMN1; SMN2
SCHEMBL6749872 0.76 HSP90AA1 (0.61) MAPTMEN1KMT2ASMN1; SMN2AGTR1
SCHEMBL4489879 0.73 MEN1 (0.54) MAPTTP53MEN1KMT2ASMN1; SMN2
SCHEMBL7834331 0.72 LMNA (0.60) MAPTMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL8345562 0.71 LMNA (0.47) MAPTKMT2AL3MBTL1KDM4EHPGD

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
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 WO disclosed