SCHEMBL17145359

SCHEMBL17145359

NS(=O)(=O)OC[C@H]1CC(Nc2ccnc(NCC3CCCCC3)n2)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 7/20 1.00
UBA3 Q8TBC4 7/20 1.00
UBA1 P22314 12/20 0.47
UBE2E1 P51965 12/20 0.47
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 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
SCHEMBL783253 1.00 NAE1 (1.00) NAE1UBA3UBA1UBE2E1SAE1
SCHEMBL783123 0.83 NAE1 (1.00) NAE1UBA3UBA1UBE2E1SAE1
SCHEMBL783835 0.82 NAE1 (0.70) NAE1UBA3UBA1UBE2E1SAE1
SCHEMBL805391 0.81 NAE1 (0.68) NAE1UBA3
SCHEMBL782980 0.76 NAE1 (0.68) NAE1UBA3UBA1UBE2E1
SCHEMBL17145363 0.76 NAE1 (0.68) NAE1UBA3UBA1UBE2E1
SCHEMBL2349048 0.75 NAE1 (0.61) NAE1UBA3UBA1UBE2E1
SCHEMBL14719972 0.74 NAE1 (0.65) NAE1UBA3UBA1UBE2E1
SCHEMBL782474 0.74 NAE1 (0.65) NAE1UBA3UBA1UBE2E1
SCHEMBL18540598 0.74 NAE1 (0.58) NAE1UBA3UBA1UBE2E1SAE1

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-9150525-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed