SCHEMBL20155050

SCHEMBL20155050

Cn1nc2c(-c3cc(S(C)(=O)=O)ccc3OCC3CC3)cn(C)c(=O)c2n1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.72

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
SCHEMBL20155432 0.87 BRD4 (0.74) BRD4
SCHEMBL20155422 0.85 BRD4 (0.70) BRD4
SCHEMBL16658312 0.84 BRD4 (0.67) BRD4
SCHEMBL20155132 0.84 BRD4 (0.52) BRD4
SCHEMBL29849024 0.84 BRD4 (1.00) BRD4
SCHEMBL16651761 0.84 BRD4 (1.00) BRD4
Trotabresib SCHEMBL16650974 0.83 BRD4 (0.74) BRD4
Trotabresib SCHEMBL29380951 0.83 BRD4 (0.74) BRD4
SCHEMBL16651361 0.83 BRD4 (0.66) BRD4
SCHEMBL16658308 0.83 BRD4 (0.65) 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