SCHEMBL4000366

SCHEMBL4000366

O=S(=O)(NC1CCCCC1)c1cccc(Cl)c1Br

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
MAPT P10636 1/20 0.61
MCOLN3 Q8TDD5 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 3/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 2/20 0.48
HSP90AA1 P07900 1/20 0.48
KDM4E B2RXH2 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP3A4 P08684 1/20 0.44

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
SCHEMBL9577115 0.85 MAPT (0.74) ALDH1A1L3MBTL1MAPTMCOLN3LMNA
SCHEMBL28820135 0.84 ALDH1A1 (0.97) ALDH1A1L3MBTL1MAPTMCOLN3LMNA
SCHEMBL10453953 0.83 ALDH1A1 (0.77) ALDH1A1L3MBTL1MAPTMCOLN3LMNA
SCHEMBL15916526 0.78 MAPT (0.97) ALDH1A1L3MBTL1MAPTMCOLN3LMNA
SCHEMBL9577236 0.77 MAPT (0.62) ALDH1A1L3MBTL1MAPTMCOLN3LMNA
SCHEMBL5504038 0.77 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPTMCOLN3LMNA
SCHEMBL2875807 0.77 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPTMCOLN3LMNA
SCHEMBL4031272 0.76 ALDH1A1 (0.66) ALDH1A1L3MBTL1MAPTMCOLN3LMNA
SCHEMBL15915230 0.76 MAPT (1.00) ALDH1A1L3MBTL1MAPTMCOLN3LMNA
SCHEMBL4030282 0.76 ALDH1A1 (0.87) ALDH1A1L3MBTL1MAPTMCOLN3LMNA

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
EP-2066628-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-06-10 EP disclosed
WO-2008014186-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-01-31 WO disclosed
EP-1844011-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2007-10-17 EP disclosed
WO-2006081343-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-03 WO disclosed