SCHEMBL11023360

SCHEMBL11023360

Nc1ccc(N)c2c1C(=O)c1ccc(OS(=O)(=O)O)cc1C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.47
CSNK1A1 P48729 2/20 0.47
CSNK1D P48730 2/20 0.47
CSNK1G1 Q9HCP0 2/20 0.47
MAOA P21397 2/20 0.47
FGR P09769 1/20 0.47
PIM1 P11309 1/20 0.47
DYRK1A Q13627 1/20 0.47
HIPK2 Q9H2X6 1/20 0.47
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
POLB P06746 4/20 0.44
MCL1 Q07820 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
BLM P54132 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
PABPC1 P11940 1/20 0.44
HPGD P15428 1/20 0.44
PLEC Q15149 1/20 0.44
GLA P06280 1/20 0.42

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
SCHEMBL5935687 0.84 GAA (0.50) MAOAMEN1KMT2AMCL1GLA
SCHEMBL3299382 0.80 BCL2 (0.48) ADORA2AMAOAMEN1KMT2AMCL1
SCHEMBL11136116 0.79 GAA (0.45) MEN1KMT2AMCL1SMN1; SMN2BLM
SCHEMBL10900544 0.77 NR4A1 (0.52) MEN1KMT2AMCL1SMN1; SMN2BLM
SCHEMBL11063987 0.75 ADORA2A (0.52) ADORA2ACSNK1A1CSNK1DCSNK1G1MAOA
SCHEMBL11028747 0.74 GAA (0.47) MEN1KMT2AHPGDGLAGAA
SCHEMBL11510446 0.74 CISD1 (0.45) MEN1KMT2APOLBGLAGAA
SCHEMBL29835939 0.73 ALDH1A1 (0.43) MEN1KMT2ATDP1HPGDGLA
SCHEMBL11353322 0.73 CYP3A4 (0.56) MEN1KMT2APOLBHPGDGLA
SCHEMBL6874618 0.73 ALDH1A1 (0.43) MEN1KMT2ATDP1HPGDGLA

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-0081169-B1 PROCESS FOR THE PREPARATION OF 4,4'-DIAMINO-1,1'-DIANTHRIMIDES BAYER AG (DE) 1985-02-06 EP disclosed
EP-0081169-A2 Process for the preparation of 4,4'-diamino-1,1'-dianthrimides BAYER AG (DE) 1983-06-15 EP disclosed