SCHEMBL16784527

SCHEMBL16784527

CNc1ccc(-c2c[nH]c(=O)c3c2ccn3S(=O)(=O)c2ccc(C)cc2)c(Oc2ccc(F)cc2F)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 19/20 0.40
▸ BRD2 P25440 2/20 0.40
▸ TRIM24 O15164 1/20 0.40
▸ BRD3 Q15059 1/20 0.40
▸ BRDT Q58F21 1/20 0.40
▸ BAZ2A Q9UIF9 1/20 0.40
▸ EP300 Q09472 3/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35

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
SCHEMBL16784528 0.90 BRD4 (0.41) BRD4BRD2TRIM24BRD3BRDT
SCHEMBL16738963 0.87 BRD4 (0.49) BRD4BRD2TRIM24BRD3BRDT
SCHEMBL16738961 0.79 BRD4 (0.64) BRD4BRD2TRIM24BRD3BRDT
SCHEMBL16739021 0.78 BRD4 (0.45) BRD4BRD2TRIM24BRD3BRDT
SCHEMBL16738858 0.77 BRD4 (0.48) BRD4BRD2TRIM24BRD3BRDT
SCHEMBL16739048 0.76 BRD4 (0.50) BRD4BRD2TRIM24BRD3BRDT
SCHEMBL16738727 0.73 BRD4 (0.52) BRD4BRD2TRIM24BRD3BRDT
SCHEMBL16758612 0.73 BRD4 (0.47) BRD4
SCHEMBL16738887 0.72 BRD4 (0.46) BRD4BRD2TRIM24BRD3BRDT
SCHEMBL16738925 0.72 BRD4 (0.47) BRD4

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-2015081203-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-06-04 — — WO disclosed
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