SCHEMBL3353763

SCHEMBL3353763

COCCn1cc(C=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 4/20 0.49
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
F2RL3 Q96RI0 2/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.41
BCHE P06276 1/20 0.41

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
SCHEMBL3352477 0.90 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL3352006 0.86 MAPT (0.52) ALDH1A1KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL31735677 0.82 F2RL3 (0.46) KMT2ASMN1; SMN2LMNAMEN1MAPT
SCHEMBL2814624 0.80 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNAMAPTPOLB
SCHEMBL3357593 0.80 CNR1 (0.47) ALDH1A1KMT2AMEN1MAPTF2RL3
SCHEMBL379545 0.79 ALDH1A1 (0.59) ALDH1A1KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL3357597 0.78 F2RL3 (0.44) ALDH1A1KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL29277388 0.77 ALDH1A1 (0.64) ALDH1A1KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL13537207 0.77 POLB (0.46) ALDH1A1SMN1; SMN2LMNAMAPTPOLB
SCHEMBL1518274 0.76 POLB (0.71) ALDH1A1KMT2ASMN1; SMN2LMNAMEN1

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