SCHEMBL21788070

SCHEMBL21788070

CNC(O)c1cc(C(=O)NCCCO)c([C@@H](C)c2ccccc2)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.62
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
CDK1 P06493 1/20 0.39
APP P05067 2/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA13 Q8N1Q1 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38

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
SCHEMBL24008075 0.83 BRD4 (0.87) BRD4BRD2BRD3BRDTHTT
SCHEMBL21787969 0.76 BRD4 (1.00) BRD4BRD2BRD3BRDTNPSR1
SCHEMBL21787961 0.75 BRD4 (0.72) BRD4BRD2BRD3BRDT
SCHEMBL21787849 0.72 BRD4 (1.00) BRD4BRD2BRD3BRDTNPSR1
SCHEMBL21787846 0.72 BRD4 (1.00) BRD4BRD2BRD3BRDTNPSR1
SCHEMBL21788069 0.70 BRD4 (0.80) BRD4BRD2BRD3BRDT
SCHEMBL21787827 0.70 BRD4 (0.79) BRD4BRD2BRD3BRDT
SCHEMBL21787974 0.69 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL24006939 0.69 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL21787966 0.69 BRD4 (1.00) 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