SCHEMBL13213383

SCHEMBL13213383

Cc1nc(OCCO)ccc1-c1cccc(CN=O)c1C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 18/20 0.36
▸ PDCD1 Q15116 8/20 0.36
▸ PDCD1LG2 Q9BQ51 1/20 0.32
▸ DGAT1 O75907 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ S1PR3 Q99500 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
SCHEMBL13117539 0.86 CD274 (0.49) CD274PDCD1PDCD1LG2S1PR1S1PR3
SCHEMBL13213662 0.82 CD274 (0.35) CD274PDCD1
SCHEMBL13117560 0.78 ALDH1A1 (0.36) CD274PDCD1PDCD1LG2DGAT1
SCHEMBL13117734 0.77 CD274 (0.42) CD274PDCD1
SCHEMBL13117624 0.75 CD274 (0.40) CD274PDCD1S1PR1S1PR3
SCHEMBL13970686 0.74 CD274 (0.40) CD274PDCD1S1PR1S1PR3
SCHEMBL13117541 0.74 CD274 (0.40) CD274PDCD1S1PR1S1PR3
SCHEMBL9964446 0.74 CD274 (0.40) CD274PDCD1DGAT1S1PR1S1PR3
SCHEMBL13117538 0.74 CD274 (0.40) CD274PDCD1S1PR1S1PR3
SCHEMBL13213358 0.72 ALDH1A1 (0.35) CD274PDCD1

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
EP-2216330-A1 OXADIAZOLIDINEDIONE COMPOUND Astellas Pharma Inc. (JP) 2010-08-11 — — EP disclosed
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