SCHEMBL397663

SCHEMBL397663

CN(c1ccccc1)S(=O)(=O)C(C)(C(=O)O)c1ccc2ccc3ncc(Cl)cc3c(=O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 18/20 0.52
KCNH2 Q12809 1/20 0.43
MST1R Q04912 1/20 0.36
CSF1R P07333 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL401357 0.89 MET (0.56) METKCNH2MST1R
SCHEMBL4396025 0.77 MET (0.48) METKCNH2MST1RCSF1R
SCHEMBL397631 0.76 MET (0.52) METKCNH2MST1R
SCHEMBL10176115 0.74 MET (0.47) METKCNH2MST1RCSF1R
SCHEMBL2447227 0.71 MET (0.77) METKCNH2MST1R
SCHEMBL2450541 0.70 MET (0.55) METKCNH2MST1R
SCHEMBL2446446 0.70 MET (0.70) METKCNH2MST1R
SCHEMBL4297592 0.70 MET (0.58) METKCNH2MST1R
SCHEMBL2329079 0.69 MET (1.00) METKCNH2
SCHEMBL4389280 0.69 MET (0.52) 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