SCHEMBL21787952

SCHEMBL21787952

CNC(=O)c1cc(C(=O)NC2C3CC(O)CC32)c(C(C)c2ccccc2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 1.00
BRD2 P25440 1/20 0.74
BRD3 Q15059 1/20 0.74
BRDT Q58F21 1/20 0.74

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
SCHEMBL21787811 1.00 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL21787874 1.00 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL21787736 1.00 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL24007727 0.88 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL24007725 0.88 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL21787960 0.88 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL21787867 0.88 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL21788066 0.85 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL21787725 0.85 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL21787877 0.85 BRD4 (0.76) BRD4BRD2BRD3BRDT

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-2020043821-A1 FURAN DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2020-03-05 WO disclosed