SCHEMBL18323123

SCHEMBL18323123

Cc1cccc(NC(=O)CCC(=O)Nc2cccc(-c3c(I)c4cc(C(=O)O)c(O)cc4n3C)c2)c1

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.86

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
SCHEMBL18323104 0.94 PTPN11 (0.84) PTPN11
SCHEMBL30367288 0.93 PTPN11 (1.00) PTPN11
SCHEMBL17669823 0.93 PTPN11 (1.00) PTPN11
SCHEMBL17669852 0.93 PTPN11 (1.00) PTPN11
SCHEMBL18323102 0.92 PTPN11 (0.85) PTPN11
SCHEMBL17669840 0.89 PTPN11 (0.89) PTPN11
SCHEMBL18323111 0.89 PTPN11 (0.79) PTPN11
SCHEMBL30366686 0.89 PTPN11 (0.85) PTPN11
SCHEMBL17669842 0.89 PTPN11 (0.85) PTPN11
SCHEMBL17669851 0.88 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
US-9522881-B2 Hydroxyindole carboxylic acid based inhibitors for oncogenic Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2) INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-12-20 US disclosed