SCHEMBL30367288

SCHEMBL30367288

Cn1c(-c2cccc(NC(=O)CCC(=O)O)c2)c(I)c2cc(C(=O)O)c(O)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 1.00

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
SCHEMBL17669852 1.00 PTPN11 (1.00) PTPN11
SCHEMBL17669840 0.94 PTPN11 (0.89) PTPN11
SCHEMBL17669823 0.94 PTPN11 (1.00) PTPN11
SCHEMBL18323123 0.93 PTPN11 (0.86) PTPN11
SCHEMBL17669842 0.92 PTPN11 (0.85) PTPN11
SCHEMBL30366686 0.92 PTPN11 (0.85) PTPN11
SCHEMBL18323104 0.92 PTPN11 (0.84) PTPN11
SCHEMBL17669851 0.89 PTPN11 (1.00) PTPN11
SCHEMBL18323111 0.89 PTPN11 (0.79) PTPN11
SCHEMBL17669820 0.89 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-B Hydroxy indole carboxylic acid-based inhibitors of SHP2 美国印第安纳大学研究和技术公司 2023-05-09 CN disclosed