SCHEMBL8358339

SCHEMBL8358339

CCCC1Nc2c(C(=O)O)ccc([N+](=O)[O-])c2C2C(Cl)C(Sc3ccccc3[N+](=O)[O-])CC12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 6/20 1.00
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
POLB P06746 6/20 0.58
L3MBTL1 Q9Y468 5/20 0.58
GAA P10253 4/20 0.58
MCL1 Q07820 4/20 0.58
TDP1 Q9NUW8 3/20 0.58
HPGD P15428 3/20 0.58
THRB P10828 2/20 0.58
BLM P54132 2/20 0.58
ALOX12 P18054 2/20 0.58
FABP4 P15090 2/20 0.58
USP2 O75604 1/20 0.58
GRK2 P25098 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PTPN7 P35236 5/20 0.54
PTPN22 Q9Y2R2 3/20 0.54
PTPN1 P18031 2/20 0.54
DUSP3 P51452 2/20 0.54

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
SCHEMBL21968899 0.74 FABP4 (1.00) PTPN5MEN1KMT2APOLBL3MBTL1
SCHEMBL16706086 0.74 MEN1 (1.00) PTPN5MEN1KMT2APOLBL3MBTL1
SCHEMBL12899541 0.58 MAPT (0.41) PTPN5MEN1KMT2APOLBL3MBTL1
SCHEMBL8358258 0.58 NR4A1 (1.00) MEN1KMT2APOLBL3MBTL1TDP1
SCHEMBL11303911 0.58 MAPT (0.52) PTPN5MEN1KMT2APOLBL3MBTL1
SCHEMBL11297851 0.57 MAPT (0.49) PTPN5MEN1KMT2APOLBL3MBTL1
SCHEMBL11297858 0.57 MEN1 (0.49) PTPN5MEN1KMT2APOLBL3MBTL1
SCHEMBL8328341 0.57 MAPT (0.56) PTPN5MEN1KMT2APOLBL3MBTL1
SCHEMBL8028472 0.57 MAPT (0.51) PTPN5MEN1KMT2APOLBL3MBTL1
SCHEMBL2028311 0.56 SLC6A2 (0.68) MEN1KMT2APOLBGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003039540-A2 D-AMINO ACID OXIDASE INHIBITORS FOR LEARNING AND MEMORY SEPRACOR INC. (US) 2003-05-15 WO disclosed