SCHEMBL30812007

SCHEMBL30812007

Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc([N+](=O)[O-])ccc4OCC(OCCOC4CCN(C(=O)OC(C)(C)C)CC4)C4CC4)cn(C)c(=O)c32)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 11/20 0.43
▸ HTR6 P50406 2/20 0.35
▸ MMP13 P45452 1/20 0.32
▸ NPBWR1 P48145 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ GPR119 Q8TDV5 5/20 0.32
▸ BCHE P06276 1/20 0.31

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
SCHEMBL30812325 0.91 BRD4 (0.44) BRD4HTR6MMP13NPBWR1MCHR1
SCHEMBL30811968 0.89 BRD4 (0.44) BRD4HTR6MMP13NPBWR1MCHR1
SCHEMBL30811964 0.85 BRD4 (0.42) BRD4HTR6GPR119BCHE
SCHEMBL30811959 0.85 BRD4 (0.43) BRD4HTR6NPBWR1MCHR1GPR119
SCHEMBL30824838 0.84 BRD4 (0.45) BRD4HTR6GPR119BCHE
SCHEMBL31245972 0.84 BRD4 (0.45) BRD4HTR6GPR119BCHE
SCHEMBL30812179 0.82 BRD4 (0.53) BRD4HTR6MMP13
SCHEMBL30824921 0.80 BRD4 (0.48) BRD4HTR6GPR119
SCHEMBL31246024 0.77 BRD4 (0.46) BRD4HTR6GPR119
SCHEMBL30812319 0.77 BRD4 (0.52) BRD4HTR6

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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