SCHEMBL20155131

SCHEMBL20155131

CCS(=O)(=O)Nc1ccc(OCC2CC2)c(-c2cn(C)c(=O)c3nn(C)nc23)c1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.68
BRDT Q58F21 2/20 0.53

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
SCHEMBL20155683 0.88 BRD4 (0.67) BRD4BRDT
SCHEMBL16715353 0.85 BRD4 (0.75) BRD4BRDT
SCHEMBL20155175 0.83 BRD4 (0.47) BRD4BRDT
SCHEMBL20155050 0.82 BRD4 (0.72) BRD4
SCHEMBL20155132 0.81 BRD4 (0.52) BRD4
SCHEMBL15540537 0.81 BRD4 (0.69) BRD4BRDT
SCHEMBL16650232 0.81 BRD4 (0.70) BRD4BRDT
SCHEMBL15069277 0.81 BRD4 (1.00) BRD4
SCHEMBL16650710 0.77 BRD4 (0.65) BRD4BRDT
SCHEMBL21998461 0.76 BRD4 (0.55) BRD4

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-2018086604-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