SCHEMBL5769414

SCHEMBL5769414

CC(O)Cc1ccc([N+](=O)[O-])s1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.48
MEN1 O00255 7/20 0.48
MAPT P10636 5/20 0.46
HTT P42858 5/20 0.46
KDM4E B2RXH2 4/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 3/20 0.44
GAA P10253 2/20 0.44
NR1D1 P20393 6/20 0.44
NR1H3 Q13133 2/20 0.44
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL10130583 0.86 KMT2A (0.50) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL8421694 0.76 MAPT (0.48) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL5047015 0.76 MAPT (0.46) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL8421691 0.76 MAPT (0.48) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL25486356 0.76 NR1D1 (0.53) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL10160727 0.76 KMT2A (0.54) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL960965 0.76 MAPT (0.53) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL959890 0.75 MAPT (0.44) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL18720620 0.75 MAPT (0.47) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL8528925 0.74 NR1D1 (0.48) KMT2AMEN1MAPTHTTKDM4E

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-1613612-A2 BIOREDUCTIVELY-ACTIVATED PRODRUGS Angiogene Pharmaceuticals Limited (GB) 2006-01-11 EP disclosed
WO-2004085421-A2 BIOREDUCTIVELY-ACTIVATED PRODRUGS ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2004-10-07 WO disclosed