SCHEMBL6590841

SCHEMBL6590841

COc1ccc2c(c1)OC(C)(C)C(NC(=O)c1cc(F)ccc1OC)C2O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.46
CLK2 P49760 1/20 0.46
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
PIN1 Q13526 3/20 0.39
HIF1A Q16665 1/20 0.39
PAX8 Q06710 1/20 0.38
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
SCN8A Q9UQD0 2/20 0.37
SCN10A Q9Y5Y9 2/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6589971 0.88 CLK1 (0.46) CLK1CLK2TSHRMAPK1MEN1
SCHEMBL6592058 0.79 HIF1A (0.50) CLK1CLK2TSHRMAPK1HCRTR1
SCHEMBL6596424 0.78 CLK1 (0.46) CLK1CLK2TSHRMAPK1HCRTR1
SCHEMBL6595994 0.71 CLK1 (0.46) CLK1CLK2HCRTR1HCRTR2PIN1
SCHEMBL6592930 0.70 MTNR1A (0.53) CLK1CLK2HCRTR1HCRTR2MAPT
SCHEMBL6591345 0.67 CLK1 (0.46) CLK1CLK2TSHRMEN1MAPT
SCHEMBL6594263 0.67 CA1 (0.48) CLK1CLK2TSHRHIF1AMAPT
SCHEMBL5277894 0.67 HPGD (0.58) HCRTR1HCRTR2PIN1MEN1MAPT
SCHEMBL3287656 0.66 MAPT (0.46) CLK1CLK2MAPT
SCHEMBL3287653 0.66 MAPT (0.46) CLK1CLK2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842927-B1 3-Amido-chromanylsulfonyl(thio)ureas, process for their preparation, their use and medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-02-25 EP disclosed
US-5849755-A 3-amidochromanylsulfonyl(thio)ureas, processes for their preparation, their use, and pharmaceutical preparations comprising them HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
EP-0842927-A1 3-Amido-chromanylsulfonyl(thio)ureas, process for their preparation, their use and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-20 EP disclosed