SCHEMBL6945665

SCHEMBL6945665

O=C(OC(=O)Oc1ccc2ccccc2n1)Oc1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.47
CNR2 P34972 3/20 0.43
HDAC8 Q9BY41 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 5/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
PRNP P04156 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL16449635 0.87 KMT2A (0.45) MGAMCNR2MAPTALDH1A1GAA
SCHEMBL294784 0.83 MGAM (0.53) MGAMCNR2HDAC8MAPTALDH1A1
SCHEMBL7773905 0.82 KMT2A (0.53) MGAMCNR2MAPTKMT2AMEN1
SCHEMBL29403157 0.82 KMT2A (0.53) MGAMCNR2MAPTKMT2AMEN1
SCHEMBL10709882 0.82 ELANE (0.41) MGAMCNR2HDAC8MAPTALDH1A1
SCHEMBL8556578 0.82 KMT2A (0.52) MGAMMAPTALDH1A1GAAKMT2A
SCHEMBL2316635 0.81 MGAM (0.47) MGAMCNR2HDAC8MAPTALDH1A1
SCHEMBL9033949 0.81 MGAM (0.47) MGAMCNR2HDAC8MAPTALDH1A1
SCHEMBL31140011 0.81 MGAM (0.47) MGAMCNR2HDAC8MAPTALDH1A1
SCHEMBL4266167 0.81 MAPT (0.49) MGAMCNR2HDAC8MAPTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0847994-B1 Process for the preparation of mixed anhydrides HOFFMANN LA ROCHE (CH) 2003-04-09 EP claimed
EP-0847994-A1 Process for the preparation of mixed anhydrides F. HOFFMANN-LA ROCHE AG (CH) 1998-06-17 EP claimed
EP-0847994-B1 Process for the preparation of mixed anhydrides HOFFMANN LA ROCHE (CH) 2003-04-09 EP disclosed
EP-0847994-A1 Process for the preparation of mixed anhydrides F. HOFFMANN-LA ROCHE AG (CH) 1998-06-17 EP disclosed