SCHEMBL16792065

SCHEMBL16792065

CS(=O)(=O)Cc1ccc(Oc2ccc(Cl)cc2C#CCCO)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 17/20 0.46
▸ EPAS1 Q99814 2/20 0.35
▸ TTR P02766 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
SCHEMBL16791848 0.77 EPAS1 (0.39) PTGDR2EPAS1TTR
SCHEMBL16791849 0.76 EPAS1 (0.41) PTGDR2EPAS1TTR
SCHEMBL16791726 0.71 PTGDR2 (0.50) PTGDR2
SCHEMBL22075510 0.70 PGK1 (0.38) PTGDR2
SCHEMBL22075488 0.67 PGK1 (0.38) —
SCHEMBL21191011 0.67 BRD4 (0.48) EPAS1TTR
SCHEMBL30443821 0.66 EPAS1 (0.55) EPAS1
SCHEMBL15067636 0.66 EPAS1 (0.55) EPAS1
SCHEMBL1838731 0.66 PTGDR2 (0.41) PTGDR2
SCHEMBL21190854 0.65 BRD4 (0.50) EPAS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080132-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-10-19 — — EP disclosed
WO-2015085925-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2015-06-18 — — WO disclosed
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