SCHEMBL31603784

SCHEMBL31603784

CC(C)(C)OC(=O)NC/C(=C\F)COc1cccc(Cn2c(=S)[nH]c(=O)c3[nH]ccc32)c1F

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 20/20 0.44
▸ TPO P07202 19/20 0.44
▸ KCNH2 Q12809 2/20 0.39
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL31603785 0.88 EPHX2 (0.36) MPOTPO
SCHEMBL31603764 0.83 MPO (0.43) MPOTPOKCNH2CYP3A4
SCHEMBL31603775 0.82 MPO (0.41) MPOTPOKCNH2CYP3A4
Hydrochloric Acid SCHEMBL31603761 0.75 MPO (0.50) MPOTPOKCNH2CYP3A4
SCHEMBL31603790 0.72 RPS6KA1 (0.36) —
Hydrochloric Acid SCHEMBL31603765 0.71 AOC2 (0.41) MPOTPOKCNH2CYP3A4
SCHEMBL31603797 0.71 MPO (0.52) MPOTPOKCNH2CYP3A4
SCHEMBL31603793 0.71 EPHX2 (0.40) —
SCHEMBL30749276 0.69 MPO (0.52) MPOTPOKCNH2CYP3A4
SCHEMBL31603758 0.69 RPS6KA1 (0.36) —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025107036-A1 DUAL INHIBITORS OF AMINE OXIDASES AND PEROXIDASES, AND USES THEREOF SYNTARA LIMITED (AU) 2025-05-30 — — WO disclosed
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