SCHEMBL29265248

SCHEMBL29265248

COc1nn(CCCCCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 8/20 0.44
▸ TDP1 Q9NUW8 1/20 0.42
▸ BRD4 O60885 3/20 0.41
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39

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
SCHEMBL30380364 1.00 DRD2 (0.44) DRD2TDP1BRD4CA12CA1
SCHEMBL29265250 1.00 DRD2 (0.44) DRD2TDP1BRD4CA12CA1
SCHEMBL31376155 0.99 DRD2 (0.43) DRD2TDP1BRD4CA12CA1
SCHEMBL29265374 0.96 DRD2 (0.42) DRD2TDP1BRD4CA12CA1
SCHEMBL30380512 0.89 DRD2 (0.51) DRD2SMN1; SMN2
SCHEMBL25405883 0.88 BRD4 (0.43) DRD2TDP1BRD4CA12CA1
SCHEMBL29265376 0.86 TDP1 (0.43) DRD2TDP1BRD4CA12CA1
SCHEMBL29265249 0.84 BRD4 (0.42) DRD2TDP1BRD4CA12CA1
SCHEMBL25014531 0.84 DRD2 (0.47) DRD2TDP1BRD4CA12CA1
SCHEMBL25014517 0.84 DRD2 (0.47) DRD2TDP1BRD4CA12CA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4380937-A1 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR PROTEINS Rayzebio, Inc. (US) 2024-06-12 — — EP disclosed
CN-118176194-A Conjugates comprising covalent binding agents for targeting intracellular proteins 瑞择生物公司 2024-06-11 — — CN disclosed
WO-2023014988-A1 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR PROTEINS RAYZEBIO, INC. (US) 2023-02-09 — — WO disclosed
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