SCHEMBL21787863

SCHEMBL21787863

CO[C@@H](c1ccccc1)c1oc(C(C)=O)cc1C(=O)N[C@H]1CC[C@H](O)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.63
BRD2 P25440 3/20 0.63
BRD3 Q15059 3/20 0.63
BRDT Q58F21 3/20 0.63
TRIM24 O15164 1/20 0.42
BRD1 O95696 1/20 0.42
CHRNA1 P02708 1/20 0.42
CCL2 P13500 1/20 0.42
TAF1 P21675 1/20 0.42
ACHE P22303 1/20 0.42
HTR1D P28221 1/20 0.42
ADORA2A P29274 1/20 0.42
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
BRPF1 P55201 1/20 0.42
EP300 Q09472 1/20 0.42
BPTF Q12830 1/20 0.42
CACNA1C Q13936 1/20 0.42
ATAD2 Q6PL18 1/20 0.42
PBRM1 Q86U86 1/20 0.42

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
SCHEMBL21788068 0.91 BRD4 (0.76) BRD4BRD2BRD3BRDT
SCHEMBL21787876 0.91 BRD4 (0.76) BRD4BRD2BRD3BRDT
SCHEMBL21787959 0.81 BRD4 (0.78) BRD4BRD2BRD3BRDT
SCHEMBL21787806 0.81 BRD4 (0.78) BRD4BRD2BRD3BRDT
SCHEMBL21787819 0.79 BRD4 (0.84) BRD4BRD2BRD3BRDT
SCHEMBL21787870 0.77 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL21788066 0.77 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL21787725 0.77 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL21787815 0.76 BRD4 (0.83) BRD4BRD2BRD3BRDT
SCHEMBL21788064 0.76 BRD4 (0.78) 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