SCHEMBL9619249

SCHEMBL9619249

Nc1c(Br)cc(Cl)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.66
CYP1A2 P05177 1/20 0.66
ADORA2A P29274 4/20 0.54
FTO Q9C0B1 1/20 0.51
MAPT P10636 6/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 5/20 0.50
POLB P06746 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
HTT P42858 1/20 0.50
MAOA P21397 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FGR P09769 1/20 0.46
PIM1 P11309 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
DYRK1A Q13627 1/20 0.46
HIPK2 Q9H2X6 1/20 0.46
CSNK1G1 Q9HCP0 1/20 0.46

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
SCHEMBL11180975 0.86 FTO (0.59) CYP1A1CYP1A2ADORA2AFTOMAPT
SCHEMBL582033 0.84 CYP1A1 (0.72) CYP1A1CYP1A2ADORA2AFTOMAPT
1-Amino-2,4-Dibromoanthra-Quinone SCHEMBL3272427 0.84 FTO (0.64) CYP1A1CYP1A2ADORA2AFTOMAPT
SCHEMBL10808664 0.82 MEN1 (0.62) CYP1A1CYP1A2ADORA2AFTOMAPT
SCHEMBL27749669 0.82 CYP1A1 (0.70) CYP1A1CYP1A2ADORA2AFTOMAPT
SCHEMBL29780301 0.79 MEN1 (0.56) CYP1A1CYP1A2ADORA2AFTOMAPT
SCHEMBL2711627 0.79 MEN1 (0.56) CYP1A1CYP1A2ADORA2AFTOMAPT
SCHEMBL11856284 0.79 MEN1 (0.51) CYP1A1CYP1A2ADORA2AMAPTMEN1
SCHEMBL3581453 0.79 CYP1A1 (1.00) CYP1A1CYP1A2ADORA2AMAPTMEN1
SCHEMBL31083050 0.79 FTO (0.55) CYP1A1CYP1A2ADORA2AFTOMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0250362-B1 PROCESS FOR THE PREPARATION OF A MIXTURE OF 1-AMINO-2-CHLORO-4-HYDROXY-ANTHRAQUINONE AND 1-AMINO-2-BROMO-4-HYDROXY-ANTHRAQUINONE CIBA-GEIGY AG (CH) 1992-01-02 EP disclosed
US-4767573-A Process for the preparation of a mixture of 1-amino-2-chloro-4-hydroxyanthraquinone and 1-amino-2-bromo-4-hydroxyanthraquinone CIBA-GEIGY CORPORATION (US) 1988-08-30 US disclosed
EP-0250362-A1 Process for the preparation of a mixture of 1-amino-2-chloro-4-hydroxy-anthraquinone and 1-amino-2-bromo-4-hydroxy-anthraquinone CIBA-GEIGY AG (CH) 1987-12-23 EP disclosed