SCHEMBL6200370

SCHEMBL6200370

O=C(Cc1ccc(Cl)cc1)c1ccccc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
MAPT P10636 2/20 0.54
PIK3CA P42336 2/20 0.54
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MIF P14174 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
HPGD P15428 3/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CNR2 P34972 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL3132603 0.85 HPGD (0.53) L3MBTL1MAPTKMT2AMEN1HPGD
SCHEMBL11620182 0.83 LMNA (0.51) MAPTNPC1RAB9AKMT2AHPGD
SCHEMBL3377072 0.82 L3MBTL1 (0.58) L3MBTL1MAPTPIK3CANPC1RAB9A
SCHEMBL11146920 0.81 ALDH1A1 (0.45) L3MBTL1MAPTNPC1RAB9AKMT2A
SCHEMBL7663868 0.81 USP2 (0.64) L3MBTL1MAPTPIK3CANPC1RAB9A
SCHEMBL29351857 0.81 USP2 (0.64) L3MBTL1MAPTPIK3CANPC1RAB9A
SCHEMBL11296677 0.80 L3MBTL1 (0.56) L3MBTL1MAPTPIK3CANPC1RAB9A
SCHEMBL8956326 0.79 L3MBTL1 (0.54) L3MBTL1MAPTPIK3CANPC1RAB9A
SCHEMBL6295186 0.79 USP2 (0.70) L3MBTL1MAPTNPC1RAB9AKMT2A
SCHEMBL21661969 0.79 ESRRG (0.45) PIK3CANPC1RAB9AKMT2AHPGD

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
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed