SCHEMBL31372141

SCHEMBL31372141

CN(C)Cc1sc(C(=O)c2cncnc2N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)C2)cc1Cc1cccc(Cl)c1

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 20/20 0.84
UBA2 Q9UBT2 20/20 0.84
NAE1 Q13564 17/20 0.84
UBA3 Q8TBC4 17/20 0.84
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60

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
SCHEMBL17410596 1.00 SAE1 (0.84) SAE1UBA2NAE1UBA3CA1
SCHEMBL17410020 0.92 SAE1 (0.86) SAE1UBA2NAE1UBA3
SCHEMBL18995083 0.92 SAE1 (0.86) SAE1UBA2NAE1UBA3
SCHEMBL19204204 0.92 SAE1 (0.83) SAE1UBA2NAE1UBA3CA1
SCHEMBL17410176 0.92 SAE1 (0.83) SAE1UBA2NAE1UBA3CA1
SCHEMBL17410352 0.92 SAE1 (1.00) SAE1UBA2NAE1UBA3CA1
SCHEMBL23956333 0.90 SAE1 (1.00) SAE1UBA2NAE1UBA3
SCHEMBL17410019 0.90 SAE1 (1.00) SAE1UBA2NAE1UBA3
SCHEMBL17421669 0.90 SAE1 (1.00) SAE1UBA2NAE1UBA3
SCHEMBL23927387 0.90 SAE1 (0.84) SAE1UBA2NAE1UBA3

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