SCHEMBL20291278

SCHEMBL20291278

COc1cc(OC)c2c(=O)cc(-c3cc(C)c(OC[C@H](O)CN4CCNCC4)c(C)c3)oc2c1

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 8/20 0.85
▸ BRD2 P25440 4/20 0.84
▸ BRD3 Q15059 4/20 0.84
▸ BRDT Q58F21 4/20 0.84
▸ ABCB1 P08183 2/20 0.49
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ABCG2 Q9UNQ0 1/20 0.45
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ ABCC1 P33527 1/20 0.40
▸ MAOB P27338 2/20 0.40
▸ MAOA P21397 1/20 0.40
▸ IL17A Q16552 1/20 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
SCHEMBL23787087 0.92 BRD4 (1.00) BRD4BRD2BRD3BRDTABCB1
SCHEMBL20291077 0.92 BRD4 (1.00) BRD4BRD2BRD3BRDTABCB1
SCHEMBL20271946 0.92 BRD4 (1.00) BRD4BRD2BRD3BRDTABCB1
SCHEMBL23787098 0.91 BRD4 (1.00) BRD4BRD2BRD3BRDTABCB1
SCHEMBL20271950 0.91 BRD4 (1.00) BRD4BRD2BRD3BRDTABCB1
SCHEMBL23787097 0.91 BRD4 (0.87) BRD4BRD2BRD3BRDTABCB1
SCHEMBL23787105 0.91 BRD4 (1.00) BRD4BRD2BRD3BRDTABCB1
SCHEMBL20271529 0.91 BRD4 (1.00) BRD4BRD2BRD3BRDTABCB1
SCHEMBL20291073 0.91 BRD4 (0.87) BRD4BRD2BRD3BRDTABCB1
SCHEMBL23787096 0.88 BRD4 (0.83) BRD4BRD2BRD3BRDTABCB1

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-2018112037-A1 INHIBITORS OF BROMODOMAIN-CONTAINING PROTEIN 4 (BRD4) ZHOU JIA (US) 2018-06-21 — — WO disclosed
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