SCHEMBL20121292

SCHEMBL20121292

CC(=O)c1csc(C(=O)c2cncnc2N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](OSP(I)I)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 20/20 0.53
UBA2 Q9UBT2 20/20 0.53
NAE1 Q13564 14/20 0.53
UBA3 Q8TBC4 14/20 0.53

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
SCHEMBL17410433 0.86 SAE1 (0.68) SAE1UBA2NAE1UBA3
SCHEMBL17429075 0.86 SAE1 (0.58) SAE1UBA2NAE1UBA3
SCHEMBL21205351 0.82 SAE1 (0.53) SAE1UBA2NAE1UBA3
SCHEMBL21128965 0.78 SAE1 (0.48) SAE1UBA2NAE1UBA3
SCHEMBL17410355 0.77 SAE1 (0.64) SAE1UBA2NAE1UBA3
SCHEMBL22446213 0.77 SAE1 (0.60) SAE1UBA2NAE1UBA3
SCHEMBL17421667 0.75 SAE1 (0.76) SAE1UBA2NAE1UBA3
SCHEMBL17429072 0.74 SAE1 (0.44) SAE1UBA2NAE1UBA3
SCHEMBL17429074 0.74 SAE1 (0.43) SAE1UBA2NAE1UBA3
SCHEMBL17410046 0.74 SAE1 (0.78) 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
US-9962386-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-05-08 US disclosed