SCHEMBL21788061

SCHEMBL21788061

CNC(=O)c1cc(C(=O)NC2CCCCC2)c([C@@H](C)c2ccc(OC)c(C)c2)o1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.62
BRD2 P25440 1/20 0.58
BRD3 Q15059 1/20 0.58
BRDT Q58F21 1/20 0.58
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL21787868 0.92 BRD4 (0.75) BRD4BRD2BRD3BRDT
SCHEMBL24007720 0.92 BRD4 (0.75) BRD4BRD2BRD3BRDT
SCHEMBL24006894 0.92 BRD4 (0.75) BRD4BRD2BRD3BRDT
SCHEMBL21787970 0.84 BRD4 (0.75) BRD4BRD2BRD3BRDT
SCHEMBL21787735 0.84 BRD4 (0.75) BRD4BRD2BRD3BRDT
SCHEMBL24007718 0.82 BRD4 (0.75) BRD4BRD2BRD3BRDT
SCHEMBL21787976 0.82 BRD4 (0.75) BRD4BRD2BRD3BRDT
SCHEMBL24006937 0.81 BRD4 (0.91) BRD4BRD2BRD3BRDTRAB9A
SCHEMBL21787801 0.80 BRD4 (0.84) BRD4BRD2BRD3BRDTRAB9A
SCHEMBL24008061 0.79 BRD4 (0.91) 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