SCHEMBL29208496

SCHEMBL29208496

CNc1cc(Cl)ncc1COC=O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL28074564 0.79 SRC (0.32) SRCMEN1ALDH1A1MAPTKMT2A
SCHEMBL28074589 0.76 SRC (0.32) SRCMEN1ALDH1A1MAPTKMT2A
SCHEMBL1521667 0.74 PDXK (0.38) MEN1ALDH1A1KMT2A
SCHEMBL29765350 0.74 PDXK (0.38) MEN1ALDH1A1KMT2A
SCHEMBL502070 0.72 ERN1 (0.33) SRCMEN1ALDH1A1MAPTKMT2A
SCHEMBL31139452 0.72 ERN1 (0.33) SRCMEN1ALDH1A1MAPTKMT2A
SCHEMBL8282245 0.68 HPGD (0.37) MEN1ALDH1A1MAPTKMT2A
SCHEMBL21541238 0.68 HTT (0.36) MEN1ALDH1A1MAPTKMT2A
SCHEMBL19479769 0.67 KAT2B (0.33) SRCMEN1ALDH1A1MAPTKMT2A
SCHEMBL14941503 0.67 NNMT (0.34) MEN1ALDH1A1MAPTKMT2A

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-117813307-A Difunctional degradants of interleukin-1 receptor related kinase and therapeutic uses thereof 新锐思生物制药股份有限公司 2024-04-02 — — CN disclosed
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