SCHEMBL29223379

SCHEMBL29223379

Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(C[S+](C)[O-])c(C(=O)O)cc4Nc4ncc(F)cc4F)cn(C)c(=O)c32)cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 13/20 0.43
▸ PIK3C3 Q8NEB9 2/20 0.32
▸ MAPK14 Q16539 1/20 0.32

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
SCHEMBL30736992 0.84 BRD4 (0.43) BRD4PIK3C3MAPK14
SCHEMBL22367472 0.84 BRD4 (0.43) BRD4PIK3C3MAPK14
SCHEMBL29223578 0.82 BRD4 (0.49) BRD4PIK3C3
SCHEMBL29223383 0.81 BRD4 (0.46) BRD4
SCHEMBL29223378 0.80 BRD4 (0.33) BRD4PIK3C3
SCHEMBL17492759 0.79 BRD4 (0.48) BRD4MAPK14
SCHEMBL21810740 0.77 BRD4 (0.44) BRD4PIK3C3
SCHEMBL17492670 0.73 BRD4 (0.47) BRD4PIK3C3MAPK14
SCHEMBL17492642 0.72 BRD4 (0.53) BRD4
SCHEMBL30736867 0.71 BRD4 (0.52) 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
CN-118108721-A Novel heterocyclic compound for regulating BRDs functions and application thereof 杭州德睿智药科技有限公司 2024-05-31 — — CN disclosed
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