SCHEMBL2030834

SCHEMBL2030834

CC(C)COC(=O)N1CCC(Cn2c(-c3ccc(-c4ccccc4)cc3)nc3cnccc32)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.47
BTK Q06187 1/20 0.42
PTGER4 P35408 2/20 0.41
BRD2 P25440 1/20 0.40
EP300 Q09472 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40

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
SCHEMBL13834740 0.86 BRD4 (0.48) BRD4BTKPTGER4
SCHEMBL2029083 0.86 BRD4 (0.48) BRD4BTKPTGER4
SCHEMBL13834447 0.86 BRD4 (0.62) BRD4BTKPTGER4
SCHEMBL12632192 0.86 BRD4 (0.62) BRD4BTKPTGER4
SCHEMBL12764531 0.86 BRD4 (0.52) BRD4BTKPTGER4
SCHEMBL13835024 0.85 BRD4 (0.50) BRD4BTKPTGER4
SCHEMBL13835022 0.85 BRD4 (0.50) BRD4BTKPTGER4
SCHEMBL13834739 0.84 BRD4 (0.51) BRD4BTKPTGER4
SCHEMBL12630671 0.84 BRD4 (0.51) BRD4BTKPTGER4
SCHEMBL2035437 0.84 BRD4 (0.50) BRD4BRD2EP300BRD3BRDT

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-2011066211-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-06-03 WO disclosed