SCHEMBL17398705

SCHEMBL17398705

C[C@](O)(c1cccc(Cl)c1)c1coc(C(=O)c2cncnc2N[C@@H]2C[C@H](CNS(=O)(=O)O)[C@@H](O)C2)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 15/20 0.63
UBA3 Q8TBC4 15/20 0.63
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL17398850 0.93 SAE1 (0.53) SAE1UBA2NAE1UBA3
SCHEMBL17398379 0.89 SAE1 (0.80) SAE1UBA2NAE1UBA3CA1
SCHEMBL17398609 0.89 SAE1 (0.80) SAE1UBA2NAE1UBA3CA1
SCHEMBL31371846 0.89 SAE1 (0.80) SAE1UBA2NAE1UBA3CA1
SCHEMBL31372192 0.89 SAE1 (0.80) SAE1UBA2NAE1UBA3CA1
SCHEMBL17398607 0.89 SAE1 (0.80) SAE1UBA2NAE1UBA3CA1
SCHEMBL18962802 0.87 SAE1 (0.56) SAE1UBA2NAE1UBA3CA1
SCHEMBL17398707 0.86 SAE1 (0.56) SAE1UBA2NAE1UBA3CA1
SCHEMBL17410118 0.81 SAE1 (0.67) SAE1UBA2NAE1UBA3
SCHEMBL17398573 0.81 SAE1 (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3164130-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2017-05-10 EP disclosed
WO-2016004136-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME DUFFEY MATTHEW O (US) 2016-01-07 WO disclosed