SCHEMBL21787958

SCHEMBL21787958

CNC(=O)c1cc(C(=O)NC2CCCCC2)c(C(CC#N)c2cccc(Cl)c2)o1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.62
BRD2 P25440 1/20 0.52
BRD3 Q15059 1/20 0.52
BRDT Q58F21 1/20 0.52
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
EPHX2 P34913 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL21787804 1.00 BRD4 (0.62) BRD4BRD2BRD3BRDTNPC1
SCHEMBL21787810 0.92 BRD4 (0.73) BRD4BRD2BRD3BRDT
SCHEMBL21787956 0.92 BRD4 (0.73) BRD4BRD2BRD3BRDT
SCHEMBL24007730 0.86 BRD4 (0.62) BRD4BRD2BRD3BRDT
SCHEMBL21787872 0.86 BRD4 (0.62) BRD4BRD2BRD3BRDT
SCHEMBL21787733 0.86 BRD4 (0.62) BRD4BRD2BRD3BRDT
SCHEMBL21787801 0.85 BRD4 (0.84) BRD4BRD2BRD3BRDTNPC1
SCHEMBL24006905 0.83 BRD4 (0.72) BRD4BRD2BRD3BRDT
SCHEMBL24007304 0.83 BRD4 (0.72) BRD4BRD2BRD3BRDT
SCHEMBL21788071 0.83 BRD4 (0.72) 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