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Sugi Predict / Compounds / SCHEMBL31372152

SCHEMBL31372152

SCHEMBL31372152

C=C(c1cccc(Br)c1)c1csc(C(=O)c2cncnc2N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)C2)c1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SAE1 Q9UBE0 19/20 0.75
▸ UBA2 Q9UBT2 19/20 0.75
▸ NAE1 Q13564 16/20 0.75
▸ UBA3 Q8TBC4 16/20 0.75
▸ CA1 P00915 1/20 0.64
▸ CA2 P00918 1/20 0.64

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
SCHEMBL17421697 1.00 SAE1 (0.75) SAE1UBA2NAE1UBA3CA1
SCHEMBL21205024 0.90 SAE1 (0.60) SAE1UBA2NAE1UBA3CA1
SCHEMBL30579061 0.88 SAE1 (0.58) SAE1UBA2NAE1UBA3CA1
SCHEMBL17428820 0.86 SAE1 (1.00) SAE1UBA2NAE1UBA3CA1
SCHEMBL19204158 0.86 SAE1 (1.00) SAE1UBA2NAE1UBA3CA1
SCHEMBL17410120 0.86 SAE1 (1.00) SAE1UBA2NAE1UBA3CA1
SCHEMBL17410133 0.85 SAE1 (0.85) SAE1UBA2NAE1UBA3CA1
SCHEMBL17421698 0.85 SAE1 (0.85) SAE1UBA2NAE1UBA3CA1
SCHEMBL17398431 0.85 SAE1 (0.85) SAE1UBA2NAE1UBA3CA1
SCHEMBL31372276 0.85 SAE1 (0.85) SAE1UBA2NAE1UBA3CA1

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-2025030135-A2 METHODS FOR TREATING AND AMELIORATING ANGINA, MYOCARDIAL INFARCTION, REPERFUSION INJURY, HEART ARRHYTHMIAS AND CONGESTIVE HEART FAILURE (CHF) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-02-06 — — WO disclosed