SCHEMBL3352477

SCHEMBL3352477

COCCn1cc(C=O)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 4/20 0.49
POLB P06746 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 3/20 0.41
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.40
F2RL3 Q96RI0 1/20 0.40
ERN1 O75460 1/20 0.40
ASH1L Q9NR48 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
SCHEMBL3353763 0.90 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3352886 0.82 MAPT (0.42) ALDH1A1SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL3354060 0.80 CNR2 (0.47) ALDH1A1KMT2AMEN1MAPT
SCHEMBL3354480 0.80 HTR7 (0.49) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3353614 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3352610 0.79 F2RL3 (0.39) ALDH1A1SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL23855046 0.78 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3354062 0.78 KMT2A (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL13537208 0.77 POLB (0.46) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL1518274 0.76 POLB (0.71) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1

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