SCHEMBL30824947

SCHEMBL30824947

CNCCc1ccc(Oc2ccc(C(C)(C)O)cc2-c2cn(C)c(=O)c3c2ccn3S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 20/20 0.57
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.40

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
SCHEMBL30824846 0.83 BRD4 (0.55) BRD4HDAC1HDAC6
SCHEMBL31683654 0.81 BRD4 (0.49) BRD4HDAC1HDAC6
SCHEMBL30824888 0.79 BRD4 (0.52) BRD4
SCHEMBL27391756 0.79 BRD4 (0.51) BRD4
SCHEMBL15772011 0.78 BRD4 (0.72) BRD4
SCHEMBL31683652 0.78 BRD4 (0.50) BRD4
SCHEMBL30811983 0.77 BRD4 (0.45) BRD4HDAC1HDAC6
SCHEMBL30811967 0.77 BRD4 (0.49) BRD4
SCHEMBL30811953 0.77 BRD4 (0.49) BRD4HDAC1HDAC6
SCHEMBL30812157 0.77 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
WO-2024054955-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 — — WO disclosed
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