SCHEMBL29484015

SCHEMBL29484015

CCCOc1cccc(F)c1C#Cc1cn([C@@H]2O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12

nearest known ligand 0.89

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.89
▸ NAE1 Q13564 3/20 0.89
▸ UBA3 Q8TBC4 2/20 0.89
▸ UBA1 P22314 1/20 0.89
▸ SAE1 Q9UBE0 1/20 0.89
▸ UBA2 Q9UBT2 1/20 0.89
▸ RNMT O43148 1/20 0.47
▸ ADK P55263 2/20 0.44
▸ DOT1L Q8TEK3 1/20 0.44

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
SCHEMBL18297457 1.00 CA2 (0.89) CA2NAE1UBA3UBA1SAE1
SCHEMBL23760337 0.94 CA2 (1.00) CA2NAE1UBA3UBA1SAE1
SCHEMBL18297434 0.94 CA2 (1.00) CA2NAE1UBA3UBA1SAE1
SCHEMBL29406144 0.94 CA2 (1.00) CA2NAE1UBA3UBA1SAE1
Hydrochloric Acid SCHEMBL18297575 0.94 CA2 (0.99) CA2NAE1UBA3UBA1SAE1
SCHEMBL18297670 0.92 CA2 (0.88) CA2NAE1UBA3UBA1SAE1
SCHEMBL29484005 0.91 CA2 (1.00) CA2NAE1UBA3UBA1SAE1
SCHEMBL18297530 0.91 CA2 (1.00) CA2NAE1UBA3UBA1SAE1
SCHEMBL20608753 0.91 CA2 (0.73) CA2NAE1UBA3UBA1SAE1
SCHEMBL18297439 0.91 CA2 (0.85) CA2NAE1UBA3UBA1SAE1

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-2022056252-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERGLYCEMIA IN TYPE-2 DIABETES THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2022-03-17 — — WO disclosed
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