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Sugi Predict / Compounds / SCHEMBL30749379

SCHEMBL30749379

SCHEMBL30749379

O=C(O)N1CCOC[C@H]1c1ccccc1Cn1c(=S)[nH]c(=O)c2[nH]ccc21.O=c1[nH]c(=S)n(Cc2ccccc2[C@@H]2COCCN2)c2cc[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 20/20 0.59
▸ TPO P07202 14/20 0.48
▸ KCNH2 Q12809 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL27224201 0.93 MPO (0.55) MPOTPOKCNH2CYP3A4
SCHEMBL27224086 0.93 MPO (0.55) MPOTPOKCNH2CYP3A4
SCHEMBL27223957 0.89 MPO (0.73) MPOTPOKCNH2CYP3A4
SCHEMBL30749174 0.89 MPO (0.73) MPOTPOKCNH2CYP3A4
SCHEMBL30749205 0.89 MPO (0.73) MPOTPOKCNH2CYP3A4
SCHEMBL27223490 0.89 MPO (0.73) MPOTPOKCNH2CYP3A4
SCHEMBL27231871 0.89 MPO (0.73) MPOTPOKCNH2CYP3A4
SCHEMBL27223377 0.82 MPO (0.54) MPOTPOKCNH2CYP3A4
SCHEMBL30749356 0.81 MPO (0.50) MPOTPOKCNH2
SCHEMBL27223369 0.80 MPO (0.64) MPOTPOKCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4573096-A1 INHIBITORS OF MYELOPEROXIDASE Astrazeneca AB (SE) 2025-06-25 — — EP disclosed
WO-2024038131-A1 INHIBITORS OF MYELOPEROXIDASE ASTRAZENECA AB (SE) 2024-02-22 — — WO disclosed
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