SCHEMBL9519014

SCHEMBL9519014

O=C(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc(OC(=O)Oc2ccc([N+](=O)[O-])cc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
GAA P10253 3/20 0.49
MAPT P10636 5/20 0.48
HSPB1 P04792 1/20 0.48
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.46
PABPC1 P11940 1/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HTR2A P28223 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PTPN7 P35236 1/20 0.43
PTPN12 Q05209 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.43

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
SCHEMBL26374 0.83 GAA (0.65) RAB9AGAAMAPTHSPB1BCL9
SCHEMBL7401922 0.82 MAPT (0.49) RAB9AGAAMAPTBCL9CTNNB1
Hydrochloric Acid SCHEMBL7895043 0.82 GAA (0.62) RAB9AGAAMAPTHSPB1BCL9
SCHEMBL9366960 0.79 GAA (0.47) GAAMAPTBCL9CTNNB1KMT2A
SCHEMBL1639306 0.79 GAA (0.59) RAB9AGAAMAPTBCL9CTNNB1
SCHEMBL12736161 0.78 MAPT (0.72) RAB9AMAPTKMT2AMEN1POLB
SCHEMBL21806518 0.78 GAA (0.48) RAB9AGAAMAPTBCL9CTNNB1
SCHEMBL9199740 0.78 LMNA (0.44) GAAMAPTKMT2AMEN1HPGD
SCHEMBL6322393 0.77 SMN1; SMN2 (0.64) GAAMAPTBCL9CTNNB1KMT2A
SCHEMBL21469741 0.77 GAA (0.57) RAB9AGAAMAPTBCL9CTNNB1

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-0278454-B1 2,4- AND 2,5-PYRIDINE-DICARBOXYLIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES BASED ON THESE COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1993-01-27 EP disclosed
EP-0278454-A2 2,4- and 2,5-Pyridine-dicarboxylic-acid derivatives, process for their preparation, their use and medicines based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-17 EP disclosed