SCHEMBL27393382

SCHEMBL27393382

Cn1cc(-c2cc(C(C)(C)O)ccc2O[C@H]2C[C@@H](OCC3CCNCC3)C2)c2ccccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 20/20 0.47
▸ HDAC1 Q13547 5/20 0.47
▸ HDAC6 Q9UBN7 3/20 0.47

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
SCHEMBL30824871 1.00 BRD4 (0.47) BRD4HDAC1HDAC6
SCHEMBL30812225 0.79 BRD4 (0.52) BRD4
SCHEMBL30812073 0.77 BRD4 (0.52) BRD4
SCHEMBL27391659 0.76 BRD4 (0.51) BRD4
SCHEMBL30824784 0.76 BRD4 (0.51) BRD4
SCHEMBL30824772 0.76 UTS2R (0.34) —
SCHEMBL27393380 0.76 UTS2R (0.34) —
SCHEMBL31245965 0.75 BRD4 (0.48) BRD4HDAC1HDAC6
SCHEMBL30812303 0.74 BRD4 (0.45) BRD4HDAC1HDAC6
SCHEMBL30824777 0.74 BRD4 (0.57) 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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