SCHEMBL26080231

SCHEMBL26080231

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 6/20 0.77
▸ ABCB1 P08183 3/20 0.60
▸ BRD2 P25440 4/20 0.57
▸ BRD3 Q15059 4/20 0.57
▸ BRDT Q58F21 4/20 0.57
▸ KDM4E B2RXH2 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ ABCG2 Q9UNQ0 1/20 0.54
▸ TERT O14746 2/20 0.48
▸ PPARG P37231 1/20 0.48
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAOA P21397 2/20 0.45
▸ MAOB P27338 2/20 0.45

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
SCHEMBL20271941 0.87 BRD4 (1.00) BRD4ABCB1BRD2BRD3BRDT
SCHEMBL30599697 0.87 BRD4 (1.00) BRD4ABCB1BRD2BRD3BRDT
SCHEMBL26080234 0.85 BRD4 (0.77) BRD4ABCB1BRD2BRD3BRDT
SCHEMBL17185537 0.85 ABCB1 (0.70) ABCB1KDM4EMEN1KMT2ANPC1
SCHEMBL26079993 0.83 ABCB1 (0.80) BRD4ABCB1BRD2BRD3BRDT
SCHEMBL20291210 0.83 BRD4 (0.67) BRD4ABCB1BRD2BRD3BRDT
SCHEMBL20291074 0.82 BRD4 (0.71) BRD4ABCB1BRD2BRD3BRDT
SCHEMBL20291413 0.82 BRD4 (0.71) BRD4ABCB1BRD2BRD3BRDT
SCHEMBL20291212 0.81 BRD4 (0.72) BRD4ABCB1BRD2BRD3BRDT
SCHEMBL20291065 0.81 BRD4 (0.73) BRD4ABCB1BRD2BRD3BRDT

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
EP-3554503-B1 INHIBITORS OF BROMODOMAIN-CONTAINING PROTEIN 4 (BRD4) UNIV TEXAS (US) 2023-10-04 — — EP disclosed
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