SCHEMBL3348593

SCHEMBL3348593

CN(C)[C@H]1CC[C@H](n2cc(Cl)c3ccc([N+](=O)[O-])cc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.44
SLC6A4 P31645 2/20 0.39
WDR5 P61964 1/20 0.38
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL3354484 0.83 ALDH1A1 (0.41) WDR5ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL3354619 0.79 ASH1L (0.39) SLC6A4ALDH1A1HTT
SCHEMBL3354615 0.79 ASH1L (0.39) SLC6A4ALDH1A1HTT
SCHEMBL3353152 0.77 IRAK4 (0.44) IRAK4SLC6A4ALDH1A1MAPTMEN1
SCHEMBL3352705 0.77 IRAK4 (0.44) IRAK4SLC6A4ALDH1A1MAPTMEN1
SCHEMBL10863485 0.69 PIK3CD (0.58) ALDH1A1SMN1; SMN2LMNAKDM4EHTT
SCHEMBL3357241 0.69 ACHE (0.41) WDR5ALDH1A1LMNAMAPTKMT2A
SCHEMBL12996890 0.68 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL28596296 0.68 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL3355435 0.67 ALDH1A1 (0.42) SLC6A4ALDH1A1SMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed