SCHEMBL30749228

SCHEMBL30749228

O=c1[nH]c(=S)n(Cc2cccnc2[C@H]2C[C@@H](C(F)(F)F)CCN2)c2cc[nH]c12

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 20/20 0.75
▸ TPO P07202 14/20 0.49
▸ CYP3A4 P08684 2/20 0.43
▸ KCNH2 Q12809 2/20 0.41

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
SCHEMBL27224025 1.00 MPO (0.75) MPOTPOCYP3A4KCNH2
SCHEMBL27223357 1.00 MPO (0.75) MPOTPOCYP3A4KCNH2
SCHEMBL30749258 1.00 MPO (0.75) MPOTPOCYP3A4KCNH2
SCHEMBL27223345 1.00 MPO (0.75) MPOTPOCYP3A4KCNH2
SCHEMBL27223583 1.00 MPO (0.75) MPOTPOCYP3A4KCNH2
SCHEMBL27224053 1.00 MPO (0.75) MPOTPOCYP3A4KCNH2
SCHEMBL27223351 0.87 MPO (0.77) MPOTPOCYP3A4KCNH2
SCHEMBL27223424 0.87 MPO (0.77) MPOTPOCYP3A4KCNH2
SCHEMBL27231569 0.87 MPO (0.77) MPOTPOCYP3A4KCNH2
SCHEMBL30749171 0.86 MPO (1.00) 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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