SCHEMBL28325014

SCHEMBL28325014

Cn1c(-c2cccc(NC(=O)CC(=O)O)c2)c(I)c2ccc(O)cc21

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.65

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
SCHEMBL28323880 0.87 PTPN11 (0.76) PTPN11
SCHEMBL17669842 0.87 PTPN11 (0.85) PTPN11
SCHEMBL30366686 0.87 PTPN11 (0.85) PTPN11
SCHEMBL17669852 0.79 PTPN11 (1.00) PTPN11
SCHEMBL30367288 0.79 PTPN11 (1.00) PTPN11
SCHEMBL17669840 0.77 PTPN11 (0.89) PTPN11
SCHEMBL17669823 0.77 PTPN11 (1.00) PTPN11
SCHEMBL18323123 0.75 PTPN11 (0.86) PTPN11
SCHEMBL18323104 0.75 PTPN11 (0.84) PTPN11
SCHEMBL17669825 0.74 PTPN11 (1.00) PTPN11

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
CN-110423212-A The inhibitor based on oxyindole carboxylic acid of SHP2 UNIV INDIANA RES & TECH CORP 2019-11-08 CN disclosed