SCHEMBL30801976

SCHEMBL30801976

CON(C)C(=O)c1nc(N(C)C(=O)OC(C)(C)C)ccc1Br

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TTK P33981 1/20 0.32
SSTR4 P31391 1/20 0.32
MLYCD O95822 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
AAK1 Q2M2I8 1/20 0.30
TRPM8 Q7Z2W7 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
SCHEMBL29235733 0.85 NOTUM (0.36) PAX8MEN1KMT2ATTKSSTR4
SCHEMBL30802108 0.84 PAX8 (0.37) PAX8TTKSSTR4AAK1
SCHEMBL29859711 0.79 TARBP2 (0.38) PAX8MEN1KMT2ASSTR4
SCHEMBL29598178 0.79 TARBP2 (0.38) PAX8MEN1KMT2ASSTR4
SCHEMBL21566105 0.78 SSTR4 (0.39) PAX8TTKSSTR4
SCHEMBL30075039 0.78 SSTR4 (0.39) PAX8TTKSSTR4
SCHEMBL30802023 0.77 LMNA (0.37) PAX8MEN1KMT2ATDP1
SCHEMBL29736883 0.77 METAP1 (0.38) MEN1KMT2ATDP1
SCHEMBL23107326 0.76 MLYCD (0.32) PAX8MLYCDTRPM8
SCHEMBL31709475 0.74 PAX8 (0.36) PAX8TTKSSTR4

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