SCHEMBL7149720

SCHEMBL7149720

O=S1(=O)N=C(c2ccc(Br)cc2)c2ccc(OCCCC3CNC3)cc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 6/20 0.51
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CHEK1 O14757 1/20 0.30

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
SCHEMBL5035549 0.82 LSS (0.58) LSSMAOAMAOBMEN1LMNA
SCHEMBL7142592 0.82 LSS (0.52) LSSMAOAMAOB
SCHEMBL5038084 0.82 LSS (0.59) LSSMAOAMAOBMEN1MAPT
SCHEMBL8485500 0.81 LSS (0.61) LSSMAOAMAOBMEN1MAPT
SCHEMBL7146473 0.80 LSS (0.41) LSSITGB3ITGA2B
SCHEMBL5140396 0.79 LSS (0.64) LSSMAPTKMT2A
SCHEMBL5035456 0.78 LSS (0.52) LSSMAOBMEN1KMT2A
SCHEMBL5140362 0.78 LSS (0.68) LSSMAPTKMT2A
SCHEMBL5038939 0.78 LSS (0.54) LSS
SCHEMBL7151209 0.77 ITGB3 (0.42) LSSITGB3ITGA2BCHEK1

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