SCHEMBL3352006

SCHEMBL3352006

CCCn1cc(C=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.52
HTT P42858 1/20 0.43
F2RL3 Q96RI0 2/20 0.42
ERN1 O75460 1/20 0.42
CNR1 P21554 1/20 0.42
ACHE P22303 1/20 0.42
CNR2 P34972 1/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.41
PTPN1 P18031 1/20 0.41
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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 0.86 ALDH1A1 (0.52) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL379545 0.82 ALDH1A1 (0.59) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL29277388 0.80 ALDH1A1 (0.64) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL8271779 0.78 PTGER4 (0.47) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL8238735 0.78 ALDH1A1 (0.66) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL3352477 0.76 ALDH1A1 (0.52) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1791581 0.76 BCHE (0.60) ALDH1A1ACHEPOLBL3MBTL1
SCHEMBL15525180 0.75 LMNA (0.49) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL6764463 0.75 KMT2A (0.49) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL28592168 0.75 ICMT (0.42) MAPTALDH1A1SMN1; SMN2LMNAHTT

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