SCHEMBL4777327

SCHEMBL4777327

CC(C)(C)CS(=O)(=O)Cc1ncccc1CNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.41
NAMPT P43490 1/20 0.40
KDM4A O75164 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NQO2 P16083 1/20 0.37
CYP3A4 P08684 1/20 0.37
CA12 O43570 6/20 0.37
CA1 P00915 6/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA2 P00918 5/20 0.37
CA9 Q16790 5/20 0.37
BRD4 O60885 1/20 0.37
KDM4E B2RXH2 1/20 0.36
AKT1 P31749 1/20 0.36
SCN9A Q15858 1/20 0.35

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
SCHEMBL16829010 0.82 NAMPT (0.45) KCNA5NAMPTKDM4AL3MBTL1NQO2
SCHEMBL4664237 0.81 NAMPT (0.44) KCNA5NAMPTKDM4AL3MBTL1NQO2
SCHEMBL21730231 0.77 NAMPT (0.47) KCNA5NAMPTKDM4AL3MBTL1NQO2
SCHEMBL29907709 0.77 NAMPT (0.47) KCNA5NAMPTKDM4AL3MBTL1NQO2
SCHEMBL12578946 0.76 ATR (0.47) KCNA5NAMPTKDM4AL3MBTL1CYP3A4
SCHEMBL15804093 0.76 NAMPT (0.46) KCNA5NAMPTKDM4AL3MBTL1NQO2
SCHEMBL12663061 0.76 NAMPT (0.44) KCNA5NAMPTKDM4AL3MBTL1NQO2
SCHEMBL35210561 0.75 NAMPT (0.46) KCNA5NAMPTKDM4AL3MBTL1NQO2
SCHEMBL17018589 0.75 NAMPT (0.46) KCNA5NAMPTKDM4AL3MBTL1NQO2
SCHEMBL15692558 0.75 NAMPT (0.42) KCNA5NAMPTKDM4AL3MBTL1NQO2

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-1924561-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS Eli Lilly & Company (US) 2008-05-28 EP disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed