SCHEMBL3248885

SCHEMBL3248885

O=C(c1cccc(Cl)n1)N1CCS(=O)(=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.54
GNE Q9Y223 1/20 0.49
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
HSD11B1 P28845 2/20 0.42
SCN9A Q15858 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 2/20 0.39
LANCL2 Q9NS86 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
HTR2C P28335 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NPC1 O15118 2/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL28467301 0.84 GNE (0.51) CNR2GNEMAPK1SMN1; SMN2USP2
SCHEMBL3249427 0.84 GNE (0.68) GNEMAPK1SMN1; SMN2USP2HSD11B1
SCHEMBL31395167 0.83 HRH4 (0.53) GNEMAPK1SMN1; SMN2USP2HSD11B1
SCHEMBL3244751 0.83 GNE (0.66) CNR2GNEMAPK1SMN1; SMN2USP2
SCHEMBL3239132 0.80 HTR2C (0.54) GNEMAPK1SMN1; SMN2RAB9AHTR2C
SCHEMBL12751750 0.78 HSD11B1 (0.67) GNESMN1; SMN2HSD11B1L3MBTL1RAB9A
SCHEMBL23981883 0.76 CNR2 (0.40) CNR2USP2SCN9ARAB9AHPGD
SCHEMBL30273172 0.76 CNR2 (0.40) CNR2USP2SCN9ARAB9AHPGD
SCHEMBL28210699 0.72 TSHR (0.46) CNR2SMN1; SMN2HPGDALDH1A1
SCHEMBL14226191 0.71 CNR2 (1.00) CNR2SMN1; SMN2RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2186516-B1 Novel benzazepine derivative GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2186516-A1 Novel benzazepine derivative Glaxo Group Limited (GB) 2010-05-19 EP disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP disclosed
EP-1572215-B1 BENZO[D]AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LTD (GB) 2009-09-02 EP disclosed
CN-1326838-C Benzo[d]azepine derivatives for the treatment of neurological disorders GLAXO GROUP LTD (GB) 2007-07-18 CN disclosed
CN-1726042-A Benzo[d]azepine derivatives for the treatment of neurological disorders GLAXO GROUP LTD (GB) 2006-01-25 CN disclosed