SCHEMBL8650221

SCHEMBL8650221

CCOC(=O)C(Cc1cc(C)ccc1[N+](=O)[O-])C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
ALDH1A1 P00352 6/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 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
SCHEMBL18371949 0.89 MAPT (0.46) MAPTTSHRCYP3A4L3MBTL1ALDH1A1
SCHEMBL8649477 0.86 L3MBTL1 (0.49) MAPTTSHRCYP3A4L3MBTL1ALDH1A1
SCHEMBL27583161 0.86 MAPT (0.47) MAPTTSHRCYP3A4L3MBTL1ALDH1A1
SCHEMBL3610075 0.85 MAPT (0.49) MAPTTSHRCYP3A4L3MBTL1ALDH1A1
SCHEMBL1572954 0.83 L3MBTL1 (0.56) MAPTTSHRL3MBTL1ALDH1A1CRHBP
SCHEMBL30619954 0.83 L3MBTL1 (0.56) MAPTTSHRL3MBTL1ALDH1A1CRHBP
SCHEMBL18371980 0.83 MAPT (0.44) MAPTTSHRCYP3A4L3MBTL1ALDH1A1
SCHEMBL2814202 0.82 MAPT (0.43) MAPTTSHRCYP3A4L3MBTL1ALDH1A1
SCHEMBL3612159 0.81 MAPT (0.45) MAPTTSHRCYP3A4L3MBTL1ALDH1A1
SCHEMBL406358 0.80 MAPT (0.51) MAPTTSHRCYP3A4ALDH1A1KMT2A

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
US-5719152-A Tricyclic quinoxalinedione derivatives SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1998-02-17 US disclosed
EP-0627434-A1 Tricyclic quinoxalinedione derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-12-07 EP disclosed