SCHEMBL6594263

SCHEMBL6594263

COc1ccc2c(c1)OC(C)(C)C(NC(=O)c1cc(Cl)ccc1OC)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
MAPT P10636 3/20 0.45
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KCNMA1 Q12791 1/20 0.42

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
SCHEMBL6592058 0.88 HIF1A (0.50) CLK1CLK2LMNATSHRHIF1A
SCHEMBL6591147 0.82 CA1 (0.54) CA1CA2CA12CA7CA14
SCHEMBL6590576 0.81 MAPT (0.61) CA1CA2CA12CA7CA14
SCHEMBL6591345 0.80 CLK1 (0.46) CA1CA2CA12CA7CA14
SCHEMBL6589971 0.79 CLK1 (0.46) CA1CA2CA12CA7CA14
SCHEMBL6592710 0.79 CA1 (0.44) CA1CA2CA12CA7CA14
SCHEMBL6594278 0.77 ABCC9 (0.53) CA1CA2CA12CA7CA14
SCHEMBL6593174 0.75 ABCC9 (0.44) CA1CA2CA12CA7CA14
SCHEMBL6625964 0.74 ABCC9 (0.48) CA1CA2CA12CA7CA14
SCHEMBL6593867 0.71 CA1 (0.57) CA1CA2CA12CA7CA14

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