SCHEMBL14756329

SCHEMBL14756329

CC1=C(c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)CCCCCCC(=O)N4CCN(S(=O)(=O)c5cc(-c6c(C)noc6C)ccc5C)CC4)CC3)c2)C(C)NO1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 15/20 0.56
▸ BRD2 P25440 14/20 0.56
▸ BRD3 Q15059 14/20 0.56
▸ POLB P06746 1/20 0.43
▸ ADAMTS5 Q9UNA0 1/20 0.39

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
SCHEMBL15980885 0.89 BRD4 (0.69) BRD4BRD2BRD3POLB
SCHEMBL14756326 0.74 BRD4 (0.74) BRD4BRD2BRD3POLB
SCHEMBL14756378 0.73 BRD4 (0.76) BRD4BRD2BRD3POLB
SCHEMBL16771434 0.73 BRD4 (0.69) BRD4BRD2BRD3POLB
SCHEMBL14756412 0.73 BRD4 (0.79) BRD4BRD2BRD3POLB
SCHEMBL16758217 0.72 BRD4 (1.00) BRD4BRD2BRD3POLB
SCHEMBL14756367 0.69 BRD4 (0.71) BRD4BRD2BRD3POLB
SCHEMBL14757067 0.69 BRD4 (0.67) BRD4BRD2BRD3POLB
SCHEMBL16771645 0.68 BRD4 (0.70) BRD4BRD2BRD3
SCHEMBL14756379 0.68 BRD4 (0.70) BRD4BRD2BRD3POLB

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-2013033268-A2 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 — — WO disclosed
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