SCHEMBL11209552

SCHEMBL11209552

Nc1cc(OC(=O)O)c([N+](=O)[O-])c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
MAPT P10636 5/20 0.47
MAPK1 P28482 4/20 0.47
THRB P10828 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MCL1 Q07820 2/20 0.47
USP2 O75604 1/20 0.47
PKM P14618 1/20 0.47
GRK6 P43250 1/20 0.44
ADORA2A P29274 4/20 0.41
CSNK1A1 P48729 2/20 0.41
CSNK1D P48730 2/20 0.41
CSNK1G1 Q9HCP0 2/20 0.41
FGR P09769 1/20 0.41
PIM1 P11309 1/20 0.41
MAOA P21397 1/20 0.41
DYRK1A Q13627 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41

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
SCHEMBL11287834 0.86 POLB (0.49) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL11345777 0.81 MEN1 (0.61) MEN1KMT2AMAPTMAPK1THRB
SCHEMBL9192951 0.80 ALDH1A1 (0.57) MEN1KMT2AMAPTMAPK1THRB
SCHEMBL3375833 0.77 MAPT (0.48) MEN1KMT2AMAPTMAPK1THRB
SCHEMBL11131456 0.75 MEN1 (0.64) MEN1KMT2AMAPTMAPK1THRB
SCHEMBL11282235 0.73 ALDH1A1 (0.50) MAPTMAPK1MCL1ALDH1A1CYP3A4
SCHEMBL10809838 0.72 MAPT (0.53) MEN1KMT2AMAPTMAPK1THRB
SCHEMBL5306728 0.70 MAPT (0.57) MEN1KMT2AMAPTMAPK1THRB
SCHEMBL14379280 0.70 MAPT (0.51) MEN1KMT2AMAPTMAPK1THRB
SCHEMBL23212346 0.70 TTR (0.57) MEN1KMT2AMAPTMAPK1THRB

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-0064629-B1 PROCESS FOR PREPARING AMINO ANTHRAQUINONES BASF Aktiengesellschaft (DE) 1983-10-26 EP disclosed
EP-0064629-A1 Process for preparing amino anthraquinones BASF Aktiengesellschaft (DE) 1982-11-17 EP disclosed