SCHEMBL20155392

SCHEMBL20155392

Cn1cc2c(=O)n(C)cc(-c3cc(S(C)(=O)=O)ccc3Oc3ccc(F)cc3F)c2n1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.74
TRIM24 O15164 1/20 0.60
BRD2 P25440 1/20 0.60
BRD3 Q15059 1/20 0.60
BRDT Q58F21 1/20 0.60
BAZ2A Q9UIF9 1/20 0.60

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
SCHEMBL16658045 0.86 BRD4 (0.75) BRD4TRIM24BRD2BRD3BRDT
SCHEMBL16651401 0.85 BRD4 (0.74) BRD4TRIM24BRD2BRD3BRDT
SCHEMBL16658050 0.85 BRD4 (0.74) BRD4TRIM24BRD2BRD3BRDT
SCHEMBL29848798 0.85 BRD4 (0.74) BRD4TRIM24BRD2BRD3BRDT
SCHEMBL29848303 0.85 BRD4 (1.00) BRD4TRIM24BRD2BRD3BRDT
SCHEMBL16651116 0.85 BRD4 (1.00) BRD4TRIM24BRD2BRD3BRDT
SCHEMBL30194071 0.83 BRD4 (0.57) BRD4
SCHEMBL16658152 0.83 BRD4 (0.77) BRD4TRIM24BRD2BRD3BRDT
SCHEMBL20155122 0.82 BRD4 (0.51) BRD4
SCHEMBL16658138 0.82 BRD4 (0.75) BRD4TRIM24BRD2BRD3BRDT

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