SCHEMBL30802108

SCHEMBL30802108

CN(C(=O)OC(C)(C)C)c1ccc(Br)c(C(=O)O)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.37
SSTR4 P31391 1/20 0.34
TTK P33981 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
BRD4 O60885 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
CKS1B P61024 1/20 0.30
SKP1 P63208 1/20 0.30
SKP2 Q13309 1/20 0.30

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
SCHEMBL29845582 0.87 SSTR4 (0.37) PAX8SSTR4NPSR1
SCHEMBL23107325 0.87 SSTR4 (0.37) PAX8SSTR4NPSR1
SCHEMBL29235733 0.86 NOTUM (0.36) PAX8SSTR4TTKAAK1NPSR1
SCHEMBL30801976 0.84 PAX8 (0.34) PAX8SSTR4TTKAAK1
SCHEMBL29598178 0.83 TARBP2 (0.38) PAX8SSTR4NPSR1
SCHEMBL29859711 0.83 TARBP2 (0.38) PAX8SSTR4NPSR1
SCHEMBL30075039 0.82 SSTR4 (0.39) PAX8SSTR4TTKBRD4CKS1B
SCHEMBL21566105 0.82 SSTR4 (0.39) PAX8SSTR4TTKBRD4CKS1B
SCHEMBL30802023 0.81 LMNA (0.37) PAX8NPSR1
SCHEMBL31709475 0.78 PAX8 (0.36) PAX8SSTR4TTK

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
WO-2024054603-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 WO disclosed