SCHEMBL1979949

SCHEMBL1979949

COc1cc(Oc2ccc(NC(=O)[C@](C)(NC(=O)O)C(C)(C)C)cc2)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.43
PDK2 Q15119 2/20 0.43
PDK3 Q15120 2/20 0.43
PDK4 Q16654 2/20 0.43
MTNR1B P49286 8/20 0.41
MTNR1A P48039 6/20 0.41
PGR P06401 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
MET P08581 1/20 0.39
GRM4 Q14833 1/20 0.38

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
SCHEMBL1980852 0.91 PDK1 (0.42) PDK1PDK2PDK3PDK4MTNR1B
SCHEMBL1980442 0.86 MAPT (0.42) TDP1GAAHTTSMN1; SMN2MEN1
SCHEMBL1980030 0.85 MTNR1B (0.61) PDK1PDK2PDK3PDK4MTNR1B
SCHEMBL1981045 0.84 MTNR1B (0.41) PDK1PDK2PDK3PDK4MTNR1B
SCHEMBL1980046 0.80 HTR2C (0.43) TDP1GAASMN1; SMN2MEN1RAB9A
SCHEMBL1978678 0.76 MAPT (0.42) TDP1GAAHTTSMN1; SMN2MEN1
SCHEMBL13721442 0.74 AR (0.55) PDK1PDK2PDK3PDK4MTNR1B
SCHEMBL17350112 0.74 MTNR1B (0.52) MTNR1BMTNR1APGRTDP1GAA
SCHEMBL13720959 0.73 MTNR1B (0.46) MTNR1BMTNR1APGRTDP1GAA
SCHEMBL1978552 0.73 XIAP (0.55) MTNR1BMTNR1AGAAHTTSMN1; SMN2

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-2509961-A1 IMIDAZOLIDINEDIONE DERIVATIVES Autifony Therapeutics Limited (GB) 2012-10-17 EP disclosed
WO-2011069951-A1 IMIDAZOLIDINEDIONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2011-06-16 WO disclosed