SCHEMBL30812259

SCHEMBL30812259

Cn1cc(-c2cc(C(C)(C)O)ccc2Oc2ccc(C#CC3CC4(CNC4)C3)cc2)c2cc[nH]c2c1=O

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 19/20 0.48
▸ BRD9 Q9H8M2 1/20 0.46

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
SCHEMBL31683499 0.93 BRD4 (0.49) BRD4BRD9
SCHEMBL30811967 0.81 BRD4 (0.49) BRD4
SCHEMBL27391018 0.80 BRD4 (0.55) BRD4BRD9
SCHEMBL30824819 0.80 BRD4 (0.55) BRD4BRD9
SCHEMBL31683490 0.80 BRD4 (0.60) BRD4BRD9
SCHEMBL31683403 0.80 BRD4 (0.54) BRD4BRD9
SCHEMBL27363388 0.80 BRD4 (0.72) BRD4
SCHEMBL31683502 0.79 BRD4 (0.52) BRD4BRD9
SCHEMBL31683577 0.78 BRD4 (0.48) BRD4BRD9
SCHEMBL31683505 0.77 ESR1 (0.46) —

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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