SCHEMBL7147877

SCHEMBL7147877

BrCCCCOc1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DRD4 P21917 2/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
NOS1 P29475 2/20 0.45
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RARB P10826 5/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
LSS P48449 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL7338768 0.98 KDM4E (0.48) KDM4EMEN1MAPTKMT2AATM
SCHEMBL7334762 0.98 KDM4E (0.48) KDM4EMEN1MAPTKMT2AATM
SCHEMBL4828609 0.98 KDM4E (0.48) KDM4EMEN1MAPTKMT2AATM
SCHEMBL7333008 0.98 KDM4E (0.48) KDM4EMEN1MAPTKMT2AATM
SCHEMBL27536116 0.94 DRD4 (0.47) KDM4EMEN1MAPTKMT2AATM
SCHEMBL5841721 0.94 L3MBTL1 (0.53) KDM4EMEN1MAPTKMT2AATM
SCHEMBL6132620 0.92 ATM (0.51) KDM4EATML3MBTL1DRD4DRD2
SCHEMBL6753836 0.92 ATM (0.51) KDM4EATML3MBTL1DRD4DRD2
SCHEMBL6132633 0.92 ATM (0.51) KDM4EATML3MBTL1DRD4DRD2
SCHEMBL6132362 0.92 ATM (0.51) KDM4EATML3MBTL1DRD4DRD2

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
CN-1261429-C Cholesterol lowering benzo [ b ] thiophenes and benzo [ d ] isothiazoles HOFFMANN LA ROCHE (CH) 2006-06-28 CN disclosed
CN-1471522-A Cholesterol lowering benzo [b] thiophenes and benzo[d] isothiazoles - 2004-01-28 CN disclosed
EP-1334094-A1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-13 EP disclosed
WO-2002036584-A1 CHOLESTEROL LOWERING BENZO`B! THIOPHENES AND BENZO`D! ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-10 WO disclosed