SCHEMBL30812019

SCHEMBL30812019

Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(C(C)(C)O)ccc4OC(CCCCCN4CCNCC4)C4CC4)cn(C)c(=O)c32)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 19/20 0.41
▸ HDAC1 Q13547 6/20 0.36
▸ HDAC6 Q9UBN7 4/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HTR6 P50406 1/20 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
SCHEMBL30812154 0.88 BRD4 (0.41) BRD4HDAC1HDAC6HTR6
SCHEMBL27393077 0.81 BRD4 (0.43) BRD4HTR6
SCHEMBL30811952 0.81 BRD4 (0.49) BRD4HTR6
SCHEMBL30811997 0.81 BRD9 (0.45) BRD4HDAC1HDAC6HDAC3HDAC8
SCHEMBL31246014 0.81 BRD4 (0.42) BRD4HDAC1HDAC6HTR6
SCHEMBL30812157 0.79 BRD4 (0.52) BRD4HTR6
SCHEMBL30812303 0.79 BRD4 (0.45) BRD4HDAC1HDAC6
SCHEMBL30812284 0.78 BRD4 (0.46) BRD4HDAC1HDAC6
SCHEMBL30812177 0.77 BRD4 (0.43) BRD4HDAC1HDAC6
SCHEMBL30812323 0.77 BRD4 (0.44) 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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