SCHEMBL6170930

SCHEMBL6170930

COc1ccc(N2C(=O)C(C)(c3ccc(Oc4ccc(F)cc4)cc3)NC2=S)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
GAA P10253 3/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 4/20 0.41
NPBWR1 P48145 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
APAF1 O14727 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6168712 0.89 CNR1 (0.46) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL6168870 0.89 GAA (0.46) HSD11B1GAAMAPTKDM4EALDH1A1
SCHEMBL6169535 0.88 HSD17B3 (0.45) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL6167711 0.82 CNR1 (0.50) GAAALDH1A1LMNAMAPK1HTT
SCHEMBL6629939 0.80 MAPT (0.50) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL6169738 0.79 CNR1 (0.43) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL6168455 0.79 PGR (0.41) HSD11B1GAAALDH1A1MEN1KMT2A
SCHEMBL6168135 0.78 LMNA (0.49) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL6624725 0.77 GAA (0.41) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL6624722 0.77 HTR1A (0.47) GAAMAPTKDM4EALDH1A1MEN1

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-1546111-A2 2-THIOHYDANTOINE DERIVATIVE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF DIABETES LABORATOIRES FOURNIER S.A. (FR) 2005-06-29 EP disclosed
WO-2004031160-A2 2-THIOHYDANTOINE DERIVATIVE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF DIABETES LABORATOIRES FOURNIER S.A. (FR) 2004-04-15 WO disclosed