SCHEMBL4593464

SCHEMBL4593464

Cc1ccc(Br)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
MAPT P10636 6/20 0.67
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
POLB P06746 3/20 0.67
HTT P42858 2/20 0.67
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MAPK1 P28482 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP3A4 P08684 2/20 0.55
TSHR P16473 2/20 0.55
CASP3 P42574 1/20 0.55
HBB P68871 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
ELANE P08246 1/20 0.50
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48

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
SCHEMBL6905740 0.87 MEN1 (0.76) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL30886455 0.87 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL55743 0.87 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL9267831 0.83 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL16281847 0.81 ALDH1A1 (0.66) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL1850298 0.80 MEN1 (1.00) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL726339 0.78 CYP1A1 (0.66) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL12750118 0.78 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AL3MBTL1
Dichlon SCHEMBL9820419 0.78 IDO1 (0.67) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL27277502 0.78 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2AL3MBTL1

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
CN-101472999-B Coloured silsesquioxanes CIBA HOLDING INC 2013-06-19 CN disclosed
EP-1948738-A1 COLOURED PARTICLES FOR ELECTROPHORETIC DISPLAYS Ciba Holding Inc. (CH) 2008-07-30 EP disclosed
WO-2007048721-A1 COLOURED PARTICLES FOR ELECTROPHORETIC DISPLAYS CIBA HOLDING INC. (CH) 2007-05-03 WO disclosed