SCHEMBL31556590

SCHEMBL31556590

O=C1NC(=C=S)N(Cc2ccc(Cl)cc2[C@@H]2CCCCN2)c2cc[nH]c21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 1/20 0.38
▸ CDC7 O00311 1/20 0.31
▸ CIT O14578 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ CSNK2A2 P19784 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CSNK2B P67870 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ CSNK2A3 Q8NEV1 1/20 0.31
▸ TAOK3 Q9H2K8 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
SCHEMBL31556633 1.00 MPO (0.38) MPOCDC7CITCYP1A2PIM1
SCHEMBL31556554 1.00 MPO (0.38) MPOCDC7CITCYP1A2PIM1
SCHEMBL31556560 1.00 MPO (0.38) MPOCDC7CITCYP1A2PIM1
SCHEMBL31556559 0.97 MPO (0.35) MPOCDC7CITCYP1A2PIM1
SCHEMBL31556596 0.97 MPO (0.35) MPOCDC7CITCYP1A2PIM1
SCHEMBL31556581 0.97 MPO (0.35) MPOCDC7CITCYP1A2PIM1
SCHEMBL31556656 0.97 MPO (0.35) MPOCDC7CITCYP1A2PIM1
Acetic Acid SCHEMBL31556675 0.92 MPO (0.32) MPOCDC7CITCYP1A2PIM1
SCHEMBL31556580 0.87 MPO (0.50) MPO
SCHEMBL31556712 0.87 MPO (0.50) MPO

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
CN-119894896-A Inhibitors of green peroxidase 阿斯利康(瑞典)有限公司 2025-04-25 — — CN claimed
CN-119894896-A Inhibitors of green peroxidase 阿斯利康(瑞典)有限公司 2025-04-25 — — CN disclosed
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