SCHEMBL30811983

SCHEMBL30811983

Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(C(C)(C)O)ccc4Oc4ccc(CCC5CCNCC5)cn4)cn(C)c(=O)c32)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 20/20 0.45
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ BRD2 P25440 2/20 0.35
▸ BRD3 Q15059 2/20 0.35
▸ BRDT Q58F21 2/20 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
SCHEMBL30812218 0.88 BRD4 (0.43) BRD4BRD2BRD3BRDT
SCHEMBL30824804 0.85 BRD4 (0.41) BRD4HDAC1HDAC6
SCHEMBL30811953 0.85 BRD4 (0.49) BRD4HDAC1HDAC6BRD2BRD3
SCHEMBL30812104 0.82 BRD4 (0.46) BRD4BRD2BRD3BRDT
SCHEMBL30812303 0.82 BRD4 (0.45) BRD4HDAC1HDAC6
SCHEMBL30812063 0.81 BRD4 (0.46) BRD4
SCHEMBL30812009 0.81 BRD4 (0.48) BRD4
SCHEMBL30812005 0.81 BRD4 (0.47) BRD4
SCHEMBL30812145 0.81 BRD4 (0.47) BRD4BRD2BRD3BRDT
SCHEMBL31683654 0.80 BRD4 (0.49) BRD4HDAC1HDAC6

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-2024054956-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 — — WO disclosed
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