SCHEMBL5495427

SCHEMBL5495427

O=C(O)C1(NS(=O)(=O)c2ccc(Br)s2)C[C@H]1c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 6/20 0.66
MAPK1 P28482 2/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.42
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL2765101 1.00 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19MEN1KMT2A
SCHEMBL2765105 1.00 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19MEN1KMT2A
SCHEMBL5492303 0.85 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19
SCHEMBL2763988 0.85 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19
SCHEMBL2763985 0.85 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19
SCHEMBL2764432 0.85 ADAMTS5 (0.72) ADAMTS5MAPK1CYP2C19MEN1KMT2A
SCHEMBL2763922 0.85 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19MEN1KMT2A
SCHEMBL5490600 0.85 ADAMTS5 (0.72) ADAMTS5MAPK1CYP2C19MEN1KMT2A
SCHEMBL2763926 0.85 ADAMTS5 (0.66) ADAMTS5MAPK1CYP2C19MEN1KMT2A
SCHEMBL2764429 0.85 ADAMTS5 (0.72) ADAMTS5MAPK1CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007516982-A 2007-06-28 JP claimed
EP-1694410-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2006-08-30 EP claimed
WO-2005058884-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 WO claimed
EP-1694410-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2006-08-30 EP disclosed
WO-2005058884-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 WO disclosed