SCHEMBL11345777

SCHEMBL11345777

Nc1cc(OC(=O)O)c(N)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.61
KMT2A Q03164 8/20 0.61
MAPT P10636 5/20 0.61
THRB P10828 4/20 0.61
MAPK1 P28482 4/20 0.61
NPSR1 Q6W5P4 3/20 0.61
MCL1 Q07820 3/20 0.61
PKM P14618 2/20 0.61
KDM4E B2RXH2 1/20 0.61
USP2 O75604 1/20 0.61
GRK6 P43250 1/20 0.57
ADORA2A P29274 6/20 0.49
CSNK1A1 P48729 2/20 0.49
CSNK1D P48730 2/20 0.49
CSNK1G1 Q9HCP0 2/20 0.49
MAOA P21397 2/20 0.49
FGR P09769 1/20 0.49
PIM1 P11309 1/20 0.49
DYRK1A Q13627 1/20 0.49
HIPK2 Q9H2X6 1/20 0.49

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
SCHEMBL11023123 0.85 MEN1 (0.55) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL9510439 0.85 CYP1A1 (0.49) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL9509350 0.85 CYP1A1 (0.56) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL11131456 0.81 MEN1 (0.64) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL4397430 0.81 ADORA2A (0.68) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL11209552 0.81 MEN1 (0.47) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL3375833 0.81 MAPT (0.48) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL92415 0.80 ADORA2A (0.66) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL460432 0.80 MAPT (0.66) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL10884047 0.79 MEN1 (0.53) MEN1KMT2AMAPTTHRBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0005206-B1 METHOD OF PREPARING 1,4-DIAMINOANTHRAQUINONE-2-CARBOXYLIC ACID CIBA-GEIGY AG (CH) 1981-04-01 EP claimed
EP-0005206-A1 Method of preparing 1,4-diaminoanthraquinone-2-carboxylic acid CIBA-GEIGY AG (CH) 1979-11-14 EP claimed
EP-0005206-B1 METHOD OF PREPARING 1,4-DIAMINOANTHRAQUINONE-2-CARBOXYLIC ACID CIBA-GEIGY AG (CH) 1981-04-01 EP disclosed
EP-0005206-B1 METHOD OF PREPARING 1,4-DIAMINOANTHRAQUINONE-2-CARBOXYLIC ACID CIBA-GEIGY AG (CH) 1981-04-01 EP disclosed
EP-0005206-A1 Method of preparing 1,4-diaminoanthraquinone-2-carboxylic acid CIBA-GEIGY AG (CH) 1979-11-14 EP disclosed
EP-0005206-A1 Method of preparing 1,4-diaminoanthraquinone-2-carboxylic acid CIBA-GEIGY AG (CH) 1979-11-14 EP disclosed
EP-0005206-A1 Method of preparing 1,4-diaminoanthraquinone-2-carboxylic acid CIBA-GEIGY AG (CH) 1979-11-14 EP disclosed