SCHEMBL20159925

SCHEMBL20159925

CCS(=O)(=O)N(CC1CC1)c1ccc(Oc2ccc(F)cc2F)c(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 0.62
EPAS1 Q99814 1/20 0.46

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
SCHEMBL20159993 0.87 BRD4 (0.62) BRD4
SCHEMBL20160294 0.82 BRD4 (0.43) BRD4EPAS1
SCHEMBL20159848 0.78 BRD4 (0.61) BRD4
SCHEMBL16766082 0.77 BRD4 (1.00) BRD4
SCHEMBL20160287 0.77 BRD4 (0.61) BRD4
SCHEMBL15069508 0.75 BRD4 (1.00) BRD4
SCHEMBL16766029 0.73 BRD4 (1.00) BRD4
SCHEMBL16650857 0.73 EPAS1 (0.67) BRD4EPAS1
SCHEMBL20154945 0.69 EPAS1 (0.62) BRD4EPAS1
SCHEMBL15067687 0.69 EPAS1 (0.54) BRD4EPAS1

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
WO-2018086585-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 WO disclosed