SCHEMBL17410280

SCHEMBL17410280

COCc1cc(C(=O)c2cncnc2N[C@@H]2C[C@H](CO)[C@@H](O[SH](#P)I)C2)sc1Cl

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 20/20 0.47
UBA2 Q9UBT2 20/20 0.47
NAE1 Q13564 14/20 0.47
UBA3 Q8TBC4 14/20 0.47
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39

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
SCHEMBL17429042 0.86 SAE1 (0.51) SAE1UBA2NAE1UBA3CA1
SCHEMBL17421410 0.86 SAE1 (0.47) SAE1UBA2NAE1UBA3CA1
SCHEMBL17429043 0.82 SAE1 (0.51) SAE1UBA2NAE1UBA3CA1
SCHEMBL17410378 0.80 SAE1 (0.47) SAE1UBA2NAE1UBA3
SCHEMBL23192724 0.77 SAE1 (0.75) SAE1UBA2NAE1UBA3CA1
SCHEMBL17398738 0.77 SAE1 (0.75) SAE1UBA2NAE1UBA3CA1
SCHEMBL17421685 0.77 SAE1 (0.44) SAE1UBA2NAE1UBA3CA1
SCHEMBL17421956 0.77 SAE1 (0.44) SAE1UBA2NAE1UBA3CA1
SCHEMBL17429044 0.76 SAE1 (0.47) SAE1UBA2NAE1UBA3CA1
SCHEMBL17421306 0.76 SAE1 (0.45) 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-2016004136-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME DUFFEY MATTHEW O (US) 2016-01-07 WO disclosed