SCHEMBL16791848

SCHEMBL16791848

CS(=O)(=O)Cc1ccc(Oc2ccc(Cl)cc2CCCCO)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 4/20 0.39
▸ SLC6A2 P23975 4/20 0.37
▸ SLC6A4 P31645 4/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ PTGES2 Q9H7Z7 1/20 0.35
▸ TTR P02766 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CHRM1 P11229 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HTR2A P28223 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
SCHEMBL16792043 0.78 BRD4 (0.47) —
SCHEMBL16791849 0.78 EPAS1 (0.41) EPAS1SLC6A2SLC6A4SLC6A3PTGDR2
SCHEMBL16792065 0.77 PTGDR2 (0.46) EPAS1PTGDR2TTR
SCHEMBL16791808 0.70 POLB (0.43) SLC6A2SLC6A4SLC6A3SMN1; SMN2CA2
SCHEMBL21191011 0.68 BRD4 (0.48) EPAS1TTRSMN1; SMN2CA2
SCHEMBL15067636 0.68 EPAS1 (0.55) EPAS1
SCHEMBL30443821 0.68 EPAS1 (0.55) EPAS1
SCHEMBL21190854 0.66 BRD4 (0.50) EPAS1SLC6A4CA2CA1CA9
SCHEMBL16658442 0.66 MAPT (0.43) SMN1; SMN2
SCHEMBL30812017 0.66 THRA (0.46) EPAS1TTR

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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