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SCHEMBL30749262

SCHEMBL30749262

O=C(O)N1CCCCC[C@@H]1c1cc(Cl)ccc1Cn1c(=S)[nH]c(=O)c2[nH]cnc21.O=c1[nH]c(=S)n(Cc2ccc(Cl)cc2[C@H]2CCCCCN2)c2nc[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 19/20 0.50
▸ TPO P07202 14/20 0.50
▸ CYP3A4 P08684 3/20 0.50
▸ KCNH2 Q12809 3/20 0.50
▸ PNP P00491 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
SCHEMBL27223609 0.93 MPO (0.56) MPOTPOCYP3A4KCNH2PNP
SCHEMBL27224199 0.93 MPO (0.56) MPOTPOCYP3A4KCNH2PNP
SCHEMBL27223343 0.89 MPO (0.61) MPOTPOCYP3A4KCNH2PNP
SCHEMBL27223961 0.89 MPO (0.61) MPOTPOCYP3A4KCNH2PNP
SCHEMBL27231694 0.89 MPO (0.61) MPOTPOCYP3A4KCNH2PNP
SCHEMBL30749245 0.83 MPO (0.54) MPOTPOCYP3A4KCNH2
SCHEMBL27223569 0.81 MPO (0.53) MPOTPOCYP3A4KCNH2PNP
SCHEMBL27224051 0.79 MPO (0.56) MPOTPOCYP3A4KCNH2
SCHEMBL30749346 0.78 MPO (0.57) MPOTPOCYP3A4KCNH2
SCHEMBL27223604 0.77 MPO (0.57) MPOTPOCYP3A4KCNH2

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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