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Sugi Predict / Compounds / SCHEMBL30811964

SCHEMBL30811964

SCHEMBL30811964

Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc([N+](=O)[O-])ccc4Oc4cccc(OCCOC5CCN(C(=O)OC(C)(C)C)CC5)c4F)cn(C)c(=O)c32)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 12/20 0.42
▸ HTR6 P50406 2/20 0.40
▸ BCHE P06276 1/20 0.36
▸ GPR119 Q8TDV5 3/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MET P08581 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ KDR P35968 1/20 0.33

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
SCHEMBL30811959 0.91 BRD4 (0.43) BRD4HTR6BCHEGPR119MET
SCHEMBL31245972 0.90 BRD4 (0.45) BRD4HTR6BCHEGPR119MEN1
SCHEMBL30824838 0.90 BRD4 (0.45) BRD4HTR6BCHEGPR119MEN1
SCHEMBL30812007 0.85 BRD4 (0.43) BRD4HTR6BCHEGPR119
SCHEMBL30812210 0.84 BRD4 (0.48) BRD4HTR6BCHEGPR119CSF1R
SCHEMBL30812171 0.83 BRD4 (0.56) BRD4
SCHEMBL30812319 0.83 BRD4 (0.52) BRD4HTR6
SCHEMBL30824889 0.83 BRD4 (0.45) BRD4HTR6
SCHEMBL30824921 0.82 BRD4 (0.48) BRD4HTR6GPR119MEN1KMT2A
SCHEMBL31245982 0.81 BRD4 (0.47) BRD4HTR6BCHEGPR119MEN1

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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