SCHEMBL30749253

SCHEMBL30749253

CC(C)(C)OC(=O)N1CCCCC[C@@H]1c1cc(Cl)ccc1CN(C(=S)NC(=O)c1ccccc1)c1nc[nH]c1C(N)=O.CC(C)(C)OC(=O)N1CCCCC[C@@H]1c1cc(Cl)ccc1Cn1c(=S)[nH]c(=O)c2[nH]cnc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 6/20 0.40
▸ TPO P07202 4/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL30749267 0.92 MPO (0.38) MPOTPOCYP3A4KCNH2ALDH1A1
SCHEMBL30749309 0.90 ALDH1A1 (0.37) ALDH1A1MEN1LMNAMAPTTSHR
SCHEMBL30749245 0.83 MPO (0.54) MPOTPOCYP3A4KCNH2ALDH1A1
SCHEMBL27224146 0.82 CPT1A (0.34) ALDH1A1MEN1LMNAKMT2ANPSR1
SCHEMBL27231643 0.82 CPT1A (0.34) ALDH1A1MEN1LMNAKMT2ANPSR1
SCHEMBL30749335 0.81 MEN1 (0.33) ALDH1A1SMN1; SMN2MEN1LMNAMAPT
SCHEMBL27223609 0.76 MPO (0.56) MPOTPOCYP3A4KCNH2
SCHEMBL27224199 0.76 MPO (0.56) MPOTPOCYP3A4KCNH2
SCHEMBL30749376 0.74 MPO (0.51) MPOTPOCYP3A4KCNH2ALDH1A1
SCHEMBL27223595 0.74 MPO (0.51) MPOTPOCYP3A4KCNH2ALDH1A1

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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