SCHEMBL1648383

SCHEMBL1648383

CNC(=O)c1cccc(NC(=O)c2ccccc2OCc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 1.00
KMT2A Q03164 6/20 1.00
SGMS2 Q8NHU3 2/20 0.70
MET P08581 1/20 0.65
GAA P10253 1/20 0.62
ALDH1A1 P00352 1/20 0.58
LRRK2 Q5S007 3/20 0.58
NR1H4 Q96RI1 2/20 0.58
KCNK3 O14649 2/20 0.57
KCNK9 Q9NPC2 2/20 0.57
LMNA P02545 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
BRD4 O60885 1/20 0.57

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
SCHEMBL1648582 0.88 MEN1 (0.78) MEN1KMT2ASGMS2METLRRK2
SCHEMBL875474 0.84 SGMS2 (1.00) MEN1KMT2ASGMS2GAAALDH1A1
SCHEMBL14428116 0.82 SGMS2 (0.75) MEN1KMT2ASGMS2GAAALDH1A1
SCHEMBL16266125 0.82 MEN1 (0.69) MEN1KMT2AGAAALDH1A1NR1H4
SCHEMBL1650152 0.82 LRRK2 (0.77) MEN1KMT2ASGMS2METGAA
SCHEMBL16266096 0.81 MEN1 (0.67) MEN1KMT2AMETALDH1A1KCNK3
SCHEMBL28652995 0.79 MEN1 (0.65) MEN1KMT2ASGMS2GAAALDH1A1
SCHEMBL30575480 0.79 MEN1 (0.65) MEN1KMT2ASGMS2GAAALDH1A1
SCHEMBL14372385 0.78 SGMS2 (0.69) MEN1KMT2ASGMS2GAAALDH1A1
SCHEMBL8203327 0.78 SGMS2 (0.82) MEN1KMT2ASGMS2GAAALDH1A1

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-2483254-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-08-08 EP claimed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 WO claimed