SCHEMBL6140673

SCHEMBL6140673

O=C1C=CCC(=O)N1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 2/20 0.56
PKM P14618 1/20 0.56
MAPK1 P28482 1/20 0.56
SCN2A Q99250 1/20 0.49
HPN P05981 1/20 0.44
SIRT6 Q8N6T7 2/20 0.41
POLB P06746 1/20 0.41
ADRB1 P08588 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
PARL Q9H300 1/20 0.41
DHODH Q02127 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
LMNA P02545 2/20 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
SCHEMBL2859550 0.81 PKM (0.80) MAPTALDH1A1GAAPKMMAPK1
SCHEMBL6140724 0.76 MGLL (0.45) MAPTALDH1A1PKMMAPK1MEN1
SCHEMBL2557016 0.75 SCN2A (0.58) MAPTALDH1A1GAAPKMMAPK1
SCHEMBL8526316 0.75 MGLL (0.59) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL10643664 0.73 SCN2A (0.54) MAPTALDH1A1GAAPKMMAPK1
SCHEMBL7549606 0.73 MAPT (0.58) MAPTALDH1A1GAAPKMMAPK1
SCHEMBL6140639 0.73 MAPT (0.62) MAPTALDH1A1GAAPKMMAPK1
SCHEMBL11592276 0.72 MAPT (1.00) MAPTALDH1A1GAAPKMMAPK1
SCHEMBL30808429 0.71 MAPT (0.47) MAPTALDH1A1GAAPKMMAPK1
SCHEMBL6140490 0.70 POLB (0.57) MAPTALDH1A1GAAPKMMAPK1

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-1506173-A1 METHOD FOR PRODUCING CYCLIC IMIDES IN THE PRESENCE OF POLYPHOSPHORIC ACID MERCK PATENT GmbH (DE) 2005-02-16 EP disclosed
WO-2003097600-A1 METHOD FOR PRODUCING CYCLIC IMIDES IN THE PRESENCE OF POLYPHOSPHORIC ACID MERCK PATENT GMBH (DE) 2003-11-27 WO disclosed