SCHEMBL6589971

SCHEMBL6589971

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
LMNA P02545 1/20 0.43
KCNMA1 Q12791 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 3/20 0.41
NPC1 O15118 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL6590841 0.88 CLK1 (0.46) CLK1CLK2LMNATSHRNPC1
SCHEMBL6594263 0.79 CA1 (0.48) CLK1CLK2CLK4LMNAKCNMA1
SCHEMBL6591345 0.79 CLK1 (0.46) CLK1CLK2CLK4LMNAKCNMA1
SCHEMBL3288062 0.75 CLK1 (0.52) CLK1CLK2CLK4LMNAKCNMA1
SCHEMBL3288066 0.75 CLK1 (0.52) CLK1CLK2CLK4LMNAKCNMA1
SCHEMBL3288061 0.75 CLK1 (0.52) CLK1CLK2CLK4LMNAKCNMA1
SCHEMBL3287305 0.73 CLK1 (0.48) CLK1CLK2CLK4LMNAKCNMA1
SCHEMBL3287298 0.73 CLK1 (0.48) CLK1CLK2CLK4LMNAKCNMA1
SCHEMBL3287295 0.73 CLK1 (0.48) CLK1CLK2CLK4LMNAKCNMA1
SCHEMBL3286482 0.71 LMNA (0.53) CLK1CLK2CLK4LMNAKCNMA1

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