SCHEMBL31073799

SCHEMBL31073799

Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc([N+](=O)[O-])c(C)cc4Oc4ccc(F)cc4F)cn(C)c(=O)c32)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 20/20 0.53
▸ TRIM24 O15164 1/20 0.45
▸ BRD2 P25440 1/20 0.45
▸ BRD3 Q15059 1/20 0.45
▸ BRDT Q58F21 1/20 0.45
▸ BAZ2A Q9UIF9 1/20 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
SCHEMBL16738727 0.91 BRD4 (0.52) BRD4TRIM24BRD2BRD3BRDT
SCHEMBL31073711 0.89 BRD4 (0.54) BRD4TRIM24BRD2BRD3BRDT
SCHEMBL31073754 0.88 BRD4 (0.55) BRD4TRIM24BRD2BRD3BRDT
SCHEMBL16738066 0.88 BRD4 (0.48) BRD4TRIM24BRD2BRD3BRDT
SCHEMBL16738701 0.86 BRD4 (0.57) BRD4TRIM24BRD2BRD3BRDT
SCHEMBL31073867 0.86 BRD4 (0.49) BRD4
SCHEMBL23403861 0.85 BRD4 (0.57) BRD4TRIM24BRD2BRD3BRDT
SCHEMBL15069250 0.85 BRD4 (0.57) BRD4TRIM24BRD2BRD3BRDT
SCHEMBL16738749 0.84 BRD4 (0.54) BRD4TRIM24BRD2BRD3BRDT
SCHEMBL28500164 0.83 BRD4 (0.54) BRD4TRIM24BRD2BRD3BRDT

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-2024193527-A1 PYRROLO[2,3-C]PYRIDINE COMPOUND AS BROMODOMAIN INHIBITOR 山东新时代药业有限公司 2024-09-26 — — WO disclosed
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