SCHEMBL30482549

SCHEMBL30482549

O=C1CC[C@@H](CNC2(c3cccc(Br)c3)CCCCC2)N1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 15/20 0.38
▸ PDCD1LG2 Q9BQ51 12/20 0.38
▸ PDCD1 Q15116 3/20 0.37
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL25311117 1.00 CD274 (0.38) CD274PDCD1LG2PDCD1DDB1CRBN
SCHEMBL25315591 1.00 CD274 (0.38) CD274PDCD1LG2PDCD1DDB1CRBN
SCHEMBL30482532 1.00 CD274 (0.38) CD274PDCD1LG2PDCD1DDB1CRBN
SCHEMBL25311371 0.86 CD274 (0.36) CD274PDCD1LG2PDCD1CRBN
SCHEMBL25313884 0.86 CD274 (0.36) CD274PDCD1LG2PDCD1CRBN
SCHEMBL25263109 0.79 CD274 (0.37) CD274PDCD1LG2PDCD1
SCHEMBL25309676 0.79 CD274 (0.37) CD274PDCD1LG2PDCD1
SCHEMBL25313699 0.79 CD274 (0.38) CD274PDCD1LG2PDCD1DDB1CRBN
SCHEMBL25310838 0.79 CD274 (0.38) CD274PDCD1LG2PDCD1DDB1CRBN
SCHEMBL25313374 0.77 KCNA5 (0.40) CD274PDCD1LG2PDCD1DDB1CRBN

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-116368112-A Novel potassium channel inhibitors 萨尼奥纳有限责任公司 2023-06-30 — — CN disclosed
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