SCHEMBL1987356

SCHEMBL1987356

O=C1c2ccccc2Cc2cc(Br)c3ccccc3c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.53
CES1 P23141 2/20 0.46
BCHE P06276 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 6/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 4/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
MIF P14174 2/20 0.38
MAOB P27338 1/20 0.38
CYP19A1 P11511 2/20 0.38
TNF P01375 2/20 0.38
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL347717 0.86 MAOA (0.41) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL10756250 0.82 MAOA (0.55) MAOACES1BCHETDP1ALDH1A1
SCHEMBL7742221 0.81 MAOA (0.53) MAOACES1BCHEL3MBTL1TDP1
SCHEMBL5958453 0.81 MAOA (0.53) MAOACES1BCHETDP1ALDH1A1
SCHEMBL8012706 0.81 MAOA (0.53) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL11150519 0.81 MAOA (0.53) MAOACES1BCHEL3MBTL1TDP1
SCHEMBL11024434 0.80 MAOA (0.49) MAOACES1BCHEL3MBTL1TDP1
SCHEMBL3452978 0.79 MAOA (0.52) MAOACES1BCHEL3MBTL1TDP1
SCHEMBL11426388 0.78 MAOA (0.50) MAOACES1BCHEL3MBTL1ALDH1A1
SCHEMBL10703055 0.78 MAOA (0.59) MAOACES1BCHEL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2085431-B1 Benzothioxanthene dyes with improved application and toxicological properties CLARIANT FINANCE BVI LTD (VG) 2011-06-29 EP disclosed
US-20090255440-A1 Benzothioxanthene dyes with improved application and toxicological properties CLARIANT INTERNATIONAL LTD. 2009-10-15 US disclosed
EP-2085431-A1 Benzothioxanthene dyes with improved application and toxicological properties CLARIANT INTERNATIONAL LTD. (CH) 2009-08-05 EP disclosed
US-4146547-A Manufacture of Bz-1-bromobenzanthrone BASF AKTIENGESELLSCHAFT (DE) 1979-03-27 US disclosed