SCHEMBL30749376

SCHEMBL30749376

CC(C)(C)OC(=O)N1CCOCC1c1cc(Cl)ccc1Cn1c(=S)[nH]c(=O)c2[nH]cnc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 17/20 0.51
▸ TPO P07202 15/20 0.51
▸ KCNH2 Q12809 3/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL27223595 1.00 MPO (0.51) MPOTPOKCNH2CYP3A4MEN1
SCHEMBL27223569 0.89 MPO (0.53) MPOTPOKCNH2CYP3A4MEN1
SCHEMBL30749245 0.88 MPO (0.54) MPOTPOKCNH2CYP3A4MEN1
SCHEMBL30749208 0.88 MPO (0.51) MPOTPOKCNH2CYP3A4
SCHEMBL30749267 0.84 MPO (0.38) MPOTPOKCNH2CYP3A4ALDH1A1
SCHEMBL27223609 0.77 MPO (0.56) MPOTPOKCNH2CYP3A4
SCHEMBL27224199 0.77 MPO (0.56) MPOTPOKCNH2CYP3A4
SCHEMBL30749342 0.77 MPO (0.53) MPOTPOKCNH2CYP3A4ALDH1A1
SCHEMBL30749356 0.77 MPO (0.50) MPOTPOKCNH2
SCHEMBL31556635 0.77 MEN1 (0.36) MEN1LMNAMAPTTSHRHTT

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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