SCHEMBL401357

SCHEMBL401357

CN(C)S(=O)(=O)C(C)(C(=O)O)c1ccc2ccc3ncc(Cl)cc3c(=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.56
KCNH2 Q12809 1/20 0.41
MST1R Q04912 1/20 0.41

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
SCHEMBL397663 0.89 MET (0.52) METKCNH2MST1R
SCHEMBL2447227 0.76 MET (0.77) METKCNH2MST1R
SCHEMBL4389280 0.74 MET (0.52) METKCNH2MST1R
SCHEMBL2329079 0.72 MET (1.00) METKCNH2
SCHEMBL399405 0.72 MET (0.65) METMST1R
SCHEMBL2325953 0.70 MET (0.56) METKCNH2MST1R
SCHEMBL10176091 0.70 MET (0.52) METKCNH2MST1R
SCHEMBL2446414 0.70 MET (0.73) METKCNH2
SCHEMBL2330091 0.70 MET (0.59) METKCNH2
SCHEMBL2446446 0.69 MET (0.70) METKCNH2MST1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101603-B2 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-01-24 US disclosed