SCHEMBL20291413

SCHEMBL20291413

COc1cc(OC)c2c(=O)cc(-c3cc(C)c(OCCCN4CCCC4)c(C)c3)oc2c1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.71
BRD2 P25440 4/20 0.70
BRD3 Q15059 4/20 0.70
BRDT Q58F21 4/20 0.70
TERT O14746 4/20 0.62
ABCB1 P08183 2/20 0.55
IL17A Q16552 1/20 0.54
ABCC1 P33527 1/20 0.51

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
SCHEMBL20291212 0.99 BRD4 (0.72) BRD4BRD2BRD3BRDTTERT
SCHEMBL20291065 0.93 BRD4 (0.73) BRD4BRD2BRD3BRDTTERT
SCHEMBL20291215 0.93 BRD4 (0.69) BRD4BRD2BRD3BRDTTERT
SCHEMBL20291417 0.90 BRD4 (0.66) BRD4BRD2BRD3BRDTTERT
SCHEMBL20291211 0.89 BRD4 (0.67) BRD4BRD2BRD3BRDTTERT
SCHEMBL30599697 0.84 BRD4 (1.00) BRD4BRD2BRD3BRDTABCB1
SCHEMBL20271941 0.84 BRD4 (1.00) BRD4BRD2BRD3BRDTABCB1
SCHEMBL23787087 0.83 BRD4 (1.00) BRD4BRD2BRD3BRDTTERT
SCHEMBL20271946 0.83 BRD4 (1.00) BRD4BRD2BRD3BRDTTERT
SCHEMBL20291077 0.83 BRD4 (1.00) BRD4BRD2BRD3BRDTTERT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3554503-B1 INHIBITORS OF BROMODOMAIN-CONTAINING PROTEIN 4 (BRD4) UNIV TEXAS (US) 2023-10-04 EP disclosed
WO-2018112037-A1 INHIBITORS OF BROMODOMAIN-CONTAINING PROTEIN 4 (BRD4) ZHOU JIA (US) 2018-06-21 WO disclosed