SCHEMBL6169535

SCHEMBL6169535

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 3/20 0.45
LTA4H P09960 1/20 0.44
GAA P10253 3/20 0.42
ESR1 P03372 1/20 0.41
AR P10275 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
ELANE P08246 1/20 0.39
NPC1 O15118 1/20 0.39
ESR2 Q92731 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
PIM1 P11309 1/20 0.38
MGLL Q99685 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
SCHEMBL6169738 0.91 CNR1 (0.43) LTA4HGAAARMEN1KMT2A
SCHEMBL6168870 0.89 GAA (0.46) LTA4HGAAMEN1KMT2AALDH1A1
SCHEMBL6170930 0.88 HSD11B1 (0.44) GAAMEN1KMT2AALDH1A1LMNA
SCHEMBL6167711 0.82 CNR1 (0.50) GAAALDH1A1LMNAMAPK1PIM1
SCHEMBL6168135 0.80 LMNA (0.49) GAAMEN1KMT2AALDH1A1LMNA
SCHEMBL6629939 0.80 MAPT (0.50) GAAMEN1KMT2AALDH1A1LMNA
SCHEMBL6168712 0.78 CNR1 (0.46) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL6624725 0.77 GAA (0.41) GAAMEN1KMT2AALDH1A1LMNA
SCHEMBL6623423 0.77 HRH4 (0.42) GAAMEN1KMT2AALDH1A1LMNA
SCHEMBL6624454 0.77 HTT (0.42) GAAARMEN1KMT2AALDH1A1

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