SCHEMBL9188705

SCHEMBL9188705

CC(=O)N1CC(=O)N/C(=C\c2ccccc2[N+](=O)[O-])C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
XDH P47989 2/20 0.46
TDP2 O95551 1/20 0.45
CASP7 P55210 1/20 0.45
CASP9 P55211 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45
MAPT P10636 9/20 0.44
TDP1 Q9NUW8 2/20 0.44
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP2C9 P11712 1/20 0.40
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9188709 1.00 KMT2A (0.56) KMT2AMEN1XDHTDP2CASP7
SCHEMBL8491228 0.83 MEN1 (0.64) KMT2AMEN1MAPTHRH3ALDH1A1
SCHEMBL7362683 0.80 MEN1 (0.66) KMT2AMEN1MAPTHRH3ALDH1A1
SCHEMBL79547 0.80 MEN1 (0.66) KMT2AMEN1MAPTHRH3ALDH1A1
SCHEMBL1598877 0.80 MEN1 (0.66) KMT2AMEN1MAPTHRH3ALDH1A1
SCHEMBL6132768 0.80 MEN1 (0.54) KMT2AMEN1MAPTHRH3ALDH1A1
SCHEMBL6132766 0.80 MEN1 (0.54) KMT2AMEN1MAPTHRH3ALDH1A1
SCHEMBL8596084 0.80 MEN1 (0.54) KMT2AMEN1MAPTHRH3ALDH1A1
SCHEMBL9186135 0.79 KMT2A (0.55) KMT2AMEN1MAPTTDP1HRH3
SCHEMBL9186136 0.79 KMT2A (0.55) KMT2AMEN1MAPTTDP1HRH3

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-0672036-A1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994004513-A1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LIMITED (GB) 1994-03-03 WO disclosed