SCHEMBL6595994

SCHEMBL6595994

COc1ccc2c(c1)CC(C)(C)C(NC(=O)c1cc(F)ccc1OC)O2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.46
CLK2 P49760 1/20 0.46
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
PIN1 Q13526 4/20 0.41
MCHR1 Q99705 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MTNR1A P48039 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
GFER P55789 1/20 0.36
SHMT2 P34897 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
SCHEMBL6592058 0.75 HIF1A (0.50) CLK1CLK2HCRTR1HCRTR2PIN1
SCHEMBL6592930 0.72 MTNR1A (0.53) CLK1CLK2HCRTR1HCRTR2MCHR1
SCHEMBL6590841 0.71 CLK1 (0.46) CLK1CLK2HCRTR1HCRTR2PIN1
SCHEMBL6596424 0.71 CLK1 (0.46) CLK1CLK2HCRTR1HCRTR2PIN1
SCHEMBL5277894 0.70 HPGD (0.58) HCRTR1HCRTR2PIN1ALDH1A1
SCHEMBL4342983 0.67 CTSD (0.65) CLK1CLK2PIN1LMNASMN1; SMN2
SCHEMBL6589300 0.66 CA1 (0.41) CLK1CLK2HCRTR1HCRTR2PIN1
SCHEMBL19014242 0.65 PLK1 (0.53) CLK1CLK2PIN1ALDH1A1LMNA
SCHEMBL17067305 0.64 ATM (0.62)
SCHEMBL24268476 0.64 SMN1; SMN2 (0.50) CLK1CLK2HCRTR1HCRTR2PIN1

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