SCHEMBL30749257

SCHEMBL30749257

O=c1[nH]c(=S)n(Cc2ccccc2C2CC(F)(F)CCN2)c2nc[nH]c12

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 16/20 0.73
▸ TPO P07202 10/20 0.55
▸ CYP3A4 P08684 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ PNP P00491 1/20 0.41
▸ PDE4A P27815 2/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ PDE4B Q07343 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL27224026 1.00 MPO (0.73) MPOTPOCYP3A4KCNH2PNP
SCHEMBL27223469 0.84 MPO (1.00) MPOTPOCYP3A4KCNH2
SCHEMBL27223627 0.84 MPO (1.00) MPOTPOCYP3A4KCNH2
SCHEMBL30749233 0.84 MPO (1.00) MPOTPOCYP3A4KCNH2
SCHEMBL27223420 0.84 MPO (1.00) MPOTPOCYP3A4KCNH2
SCHEMBL30749179 0.84 MPO (1.00) MPOTPOCYP3A4KCNH2
SCHEMBL30749184 0.84 MPO (1.00) MPOTPOCYP3A4KCNH2
SCHEMBL30749197 0.84 MPO (1.00) MPOTPOCYP3A4KCNH2
SCHEMBL30749224 0.80 MPO (1.00) MPOTPOCYP3A4KCNH2PNP
SCHEMBL30749189 0.80 MPO (1.00) MPOTPOCYP3A4KCNH2PNP

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
Send feedback