SCHEMBL23927334

SCHEMBL23927334

Cc1sc(C(=O)c2cncnc2N[C@@H]2C[C@H](CNS(=O)(=O)O)[C@@H](O)C2)nc1C(O)c1cccc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 20/20 0.63
UBA2 Q9UBT2 20/20 0.63
NAE1 Q13564 17/20 0.63
UBA3 Q8TBC4 17/20 0.63
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47

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
SCHEMBL23927365 1.00 SAE1 (0.63) SAE1UBA2NAE1UBA3CA1
SCHEMBL23927333 1.00 SAE1 (0.63) SAE1UBA2NAE1UBA3CA1
SCHEMBL17421675 0.89 SAE1 (0.80) SAE1UBA2NAE1UBA3CA1
SCHEMBL17398497 0.89 SAE1 (0.80) SAE1UBA2NAE1UBA3CA1
SCHEMBL23927335 0.89 SAE1 (0.80) SAE1UBA2NAE1UBA3CA1
SCHEMBL23927398 0.83 SAE1 (0.45) SAE1UBA2NAE1UBA3CA1
SCHEMBL25395426 0.79 SAE1 (0.71) SAE1UBA2NAE1UBA3
SCHEMBL25395436 0.79 SAE1 (0.71) SAE1UBA2NAE1UBA3
SCHEMBL17410132 0.78 SAE1 (1.00) SAE1UBA2NAE1UBA3CA1
SCHEMBL17421655 0.78 SAE1 (1.00) 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
EP-3901159-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2021-10-27 EP disclosed