SCHEMBL30702016

SCHEMBL30702016

Cn1c(=O)n(COCC[Si](C)(C)C)c2cncc(Br)c21

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ DGAT1 O75907 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
SCHEMBL27191727 1.00 NPC1 (0.34) NPC1MAPTDGAT1
SCHEMBL30702002 0.85 NPC1 (0.36) NPC1MAPT
SCHEMBL27191846 0.85 NPC1 (0.36) NPC1MAPT
SCHEMBL13015496 0.82 NPC1 (0.41) NPC1MAPTDGAT1
SCHEMBL29502401 0.82 NPC1 (0.41) NPC1MAPTDGAT1
SCHEMBL24607455 0.81 NPC1 (0.35) NPC1DGAT1
SCHEMBL31129761 0.78 NPC1 (0.38) NPC1DGAT1
SCHEMBL31276144 0.78 NPC1 (0.40) NPC1MAPTDGAT1
SCHEMBL24607798 0.77 NPC1 (0.38) NPC1DGAT1
SCHEMBL25337708 0.76 NPC1 (0.38) NPC1DGAT1

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-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 — — EP disclosed
CN-119731159-A SARS-CoV2 main proteinase inhibitor 吉利德科学公司 2025-03-28 — — CN disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 — — WO disclosed
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