SCHEMBL5374091

SCHEMBL5374091

CNS(=O)(=O)c1cccc(-c2ccc3[nH]c4c(c3c2)CN(c2ncc(C(=O)OC)cn2)CC4)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 5/20 0.53
MAPT P10636 3/20 0.43
THRB P10828 3/20 0.43
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
HTR6 P50406 6/20 0.40
HTR1A P08908 2/20 0.40
HTR2C P28335 2/20 0.40
HTR7 P34969 2/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CYP11B2 P19099 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DGAT2 Q96PD7 1/20 0.37

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
SCHEMBL4939629 0.90 BAZ2B (0.53) BAZ2BSIRT2HTR6HTR1AHTR2C
SCHEMBL2986268 0.86 BAZ2B (0.46) BAZ2BMAPTLMNASIRT2KDM4E
SCHEMBL2973481 0.85 SIRT2 (0.44) BAZ2BMAPTLMNASIRT2KDM4E
SCHEMBL2970389 0.84 SIRT2 (0.43) BAZ2BMAPTLMNASIRT2KDM4E
SCHEMBL5320029 0.84 SIRT2 (0.43) BAZ2BMAPTSIRT2KDM4EALDH1A1
SCHEMBL2980531 0.84 SIRT2 (0.43) BAZ2BMAPTSIRT2KDM4EALDH1A1
SCHEMBL2978678 0.84 SIRT2 (0.43) BAZ2BMAPTLMNASIRT2KDM4E
SCHEMBL5374096 0.83 BAZ2B (0.51) BAZ2BSIRT2HTR6HTR1AHTR2C
SCHEMBL5316177 0.83 AURKA (0.41) BAZ2BMAPTTHRBTP53SIRT2
SCHEMBL2980630 0.83 SIRT2 (0.42) BAZ2BMAPTTHRBLMNATP53

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-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO disclosed