SCHEMBL3357708

SCHEMBL3357708

CCOC(=O)c1ccc2ncn(C3CCN(C4CCCC4)CC3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.58
HPGD P15428 6/20 0.58
GAA P10253 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NPC1 O15118 3/20 0.54
USP2 O75604 1/20 0.54
RAB9A P51151 1/20 0.54
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
OGFRL1 Q5TC84 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPK1 P28482 2/20 0.47
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL3352559 0.88 ALDH1A1 (0.53) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL3358563 0.84 ALDH1A1 (0.51) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL3356723 0.83 GAA (0.69) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL3354699 0.82 ALDH1A1 (0.55) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL3356727 0.76 GAA (0.49) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL31208292 0.76 ALDH1A1 (0.60) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL29490253 0.75 ALDH1A1 (0.50) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL22862805 0.75 ALDH1A1 (0.50) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL3356346 0.74 DDB1 (0.49) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL24075008 0.73 HPGD (0.49) ALDH1A1HPGDGAAMEN1KMT2A

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