SCHEMBL31603769

SCHEMBL31603769

NC/C(=C/F)COc1cccc(Cn2c(=S)[nH]c(=O)c3[nH]cnc32)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 6/20 0.53
▸ TPO P07202 4/20 0.53
▸ CYP3A4 P08684 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ PNP P00491 2/20 0.44
▸ AOC3 Q16853 8/20 0.41
▸ MAOA P21397 4/20 0.40
▸ AOC2 O75106 3/20 0.40
▸ MAOB P27338 3/20 0.40
▸ DAO P14920 2/20 0.40

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 SCHEMBL31603778 0.99 MPO (0.52) MPOTPOCYP3A4KCNH2PNP
Hydrochloric Acid SCHEMBL31603760 0.99 MPO (0.52) MPOTPOCYP3A4KCNH2PNP
Hydrochloric Acid SCHEMBL31603783 0.88 MPO (0.61) MPOTPOCYP3A4KCNH2PNP
Hydrochloric Acid SCHEMBL31603770 0.84 MPO (0.47) MPOTPOCYP3A4KCNH2MAOA
Hydrochloric Acid SCHEMBL31603768 0.73 MPO (0.46) MPOTPOCYP3A4KCNH2MAOA
SCHEMBL31603797 0.73 MPO (0.52) MPOTPOCYP3A4KCNH2PNP
SCHEMBL1460860 0.71 MPO (1.00) MPOTPOCYP3A4KCNH2PNP
Hydrochloric Acid SCHEMBL31603767 0.70 MAOA (0.35) MPOTPOAOC3MAOAAOC2
SCHEMBL2278851 0.69 MPO (0.67) MPOTPOCYP3A4KCNH2PNP
SCHEMBL1461239 0.69 MPO (0.74) MPOTPOCYP3A4KCNH2PNP

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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