SCHEMBL7146689

SCHEMBL7146689

CCN(CCCCOc1ccc2c(-c3ccc(NCc4ccccc4)cc3)nsc2c1)C(C)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 9/20 0.52
CACNA1B Q00975 1/20 0.38
AURKA O14965 2/20 0.36
AURKB Q96GD4 2/20 0.36
APAF1 O14727 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SREBF2 Q12772 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL5039999 0.87 LSS (0.70) LSSCACNA1BAURKAAURKBMAOA
SCHEMBL5038318 0.80 LSS (0.55) LSSCACNA1BAURKAAURKBMAOA
SCHEMBL5038288 0.77 LSS (0.55) LSSCACNA1BAURKAAURKBMAOA
SCHEMBL5045545 0.74 LSS (0.81) LSSAURKAAURKBMAOAMAOB
SCHEMBL5040045 0.71 LSS (0.75) LSSAURKAAURKBMAOAMAOB
SCHEMBL5043374 0.71 LSS (0.82) LSSMAOB
SCHEMBL5040098 0.71 LSS (0.82) LSS
SCHEMBL7149728 0.71 LSS (0.41) LSS
SCHEMBL5039981 0.70 LSS (0.71) LSS
SCHEMBL5038937 0.69 LSS (0.82) LSSMAOBEGFRKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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