SCHEMBL31603797

SCHEMBL31603797

CC(C)(C)OC(=O)NC/C(=C\F)COc1ccc(Cn2c(=S)[nH]c(=O)c3[nH]cnc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 6/20 0.52
▸ TPO P07202 4/20 0.52
▸ CYP3A4 P08684 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PNP P00491 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ IL6 P05231 2/20 0.34
▸ TLR7 Q9NYK1 2/20 0.34
▸ ADORA2A P29274 3/20 0.33
▸ ADORA2B P29275 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32

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
Hydrochloric Acid SCHEMBL31603783 0.82 MPO (0.61) MPOTPOCYP3A4KCNH2PNP
SCHEMBL31603775 0.77 MPO (0.41) MPOTPOCYP3A4KCNH2
SCHEMBL31603764 0.77 MPO (0.43) MPOTPOCYP3A4KCNH2
SCHEMBL31603782 0.76 MPO (0.31) MPOTPO
SCHEMBL31603769 0.73 MPO (0.53) MPOTPOCYP3A4KCNH2PNP
Hydrochloric Acid SCHEMBL31603760 0.72 MPO (0.52) MPOTPOCYP3A4KCNH2PNP
Hydrochloric Acid SCHEMBL31603778 0.72 MPO (0.52) MPOTPOCYP3A4KCNH2PNP
SCHEMBL28992090 0.72 IP6K1 (0.43) L3MBTL1MAPTTDP1
SCHEMBL31603784 0.71 MPO (0.44) MPOTPOCYP3A4KCNH2
SCHEMBL23329639 0.71 MAOB (0.46) L3MBTL1MAPTTDP1

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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