SCHEMBL20291210

SCHEMBL20291210

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

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 6/20 0.67
▸ BRD2 P25440 4/20 0.61
▸ BRD3 Q15059 4/20 0.61
▸ BRDT Q58F21 4/20 0.61
▸ ABCB1 P08183 3/20 0.56
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.51
▸ MAOB P27338 6/20 0.47
▸ MAOA P21397 5/20 0.47
▸ PPARG P37231 1/20 0.46
▸ TP53 P04637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL20291074 0.89 BRD4 (0.71) BRD4BRD2BRD3BRDTABCB1
SCHEMBL26080231 0.83 BRD4 (0.77) BRD4BRD2BRD3BRDTABCB1
SCHEMBL26079993 0.81 ABCB1 (0.80) BRD4BRD2BRD3BRDTABCB1
SCHEMBL20271941 0.80 BRD4 (1.00) BRD4BRD2BRD3BRDTABCB1
SCHEMBL30599697 0.80 BRD4 (1.00) BRD4BRD2BRD3BRDTABCB1
SCHEMBL20291079 0.80 BRD4 (0.71) BRD4BRD2BRD3BRDTABCB1
SCHEMBL20270787 0.79 BRD4 (0.73) BRD4BRD2BRD3BRDTABCB1
SCHEMBL20271547 0.78 BRD4 (0.72) BRD4BRD2BRD3BRDTABCB1
SCHEMBL20271549 0.78 BRD4 (0.72) BRD4BRD2BRD3BRDTABCB1
SCHEMBL26080234 0.77 BRD4 (0.77) 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
Send feedback