SCHEMBL30749255

SCHEMBL30749255

O=C(OCc1ccccc1)N1CCC(F)(F)CC1c1ccccc1Cn1c(=S)[nH]c(=O)c2[nH]cnc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 10/20 0.47
▸ TPO P07202 4/20 0.46
▸ PNP P00491 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ PARP1 P09874 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
SCHEMBL27223452 1.00 MPO (0.47) MPOTPOPNPCYP3A4KCNH2
SCHEMBL27223531 0.87 MPO (0.59) MPOTPOCYP3A4KCNH2
SCHEMBL30749360 0.87 MPO (0.59) MPOTPOCYP3A4KCNH2
SCHEMBL30749324 0.82 MPO (0.71) MPOTPOCYP3A4KCNH2
SCHEMBL27223485 0.76 SIGMAR1 (0.43) TMEM97SIGMAR1
SCHEMBL27224026 0.75 MPO (0.73) MPOTPOPNPCYP3A4KCNH2
SCHEMBL30749257 0.75 MPO (0.73) MPOTPOPNPCYP3A4KCNH2
SCHEMBL30749232 0.75 RECQL (0.36) CYP3A4JAK2JAK1TYK2
SCHEMBL27223628 0.75 RECQL (0.36) CYP3A4JAK2JAK1TYK2
SCHEMBL30749340 0.72 MPO (0.49) MPOTPOTMEM97SIGMAR1

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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