SCHEMBL16791849

SCHEMBL16791849

CS(=O)(=O)Cc1ccc(Oc2ccc(Cl)cc2I)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 6/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ SLC6A2 P23975 4/20 0.37
▸ SLC6A4 P31645 4/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ TTR P02766 2/20 0.35
▸ SLC22A12 Q96S37 2/20 0.34
▸ PPARA Q07869 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL16791774 0.81 TTR (0.52) EPAS1PTGDR2SLC6A2SLC6A4SLC6A3
SCHEMBL16791951 0.81 SLC6A2 (0.41) EPAS1SLC6A2SLC6A4SLC6A3TTR
SCHEMBL16791848 0.78 EPAS1 (0.39) EPAS1PTGDR2SLC6A2SLC6A4SLC6A3
SCHEMBL16792065 0.76 PTGDR2 (0.46) EPAS1PTGDR2TTR
SCHEMBL21191011 0.74 BRD4 (0.48) EPAS1TTRPTPN1
SCHEMBL30443821 0.74 EPAS1 (0.55) EPAS1
SCHEMBL15067636 0.74 EPAS1 (0.55) EPAS1
SCHEMBL21190854 0.72 BRD4 (0.50) EPAS1SLC6A4PTPN1
SCHEMBL16658442 0.72 MAPT (0.43) PTPN1ALDH1A1TDP1L3MBTL1
SCHEMBL22118209 0.72 TTR (0.47) SLC6A2SLC6A4SLC6A3TTRSLC22A12

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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