SCHEMBL13833306

SCHEMBL13833306

[N-]=[N+]=NCC1OC(n2cnc3c(=O)[nH]c(N)nc32)C(O)C1O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 1/20 0.64
▸ NT5E P21589 1/20 0.63
▸ HINT1 P49773 6/20 0.61
▸ TGM2 P21980 1/20 0.59
▸ GSK3A P49840 2/20 0.57
▸ RPS6KA3 P51812 2/20 0.57
▸ MAPK14 Q16539 2/20 0.57
▸ HPGD P15428 1/20 0.56
▸ PNP P00491 1/20 0.55
▸ KRAS P01116 6/20 0.53
▸ FUT5 Q11128 1/20 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
SCHEMBL16113889 1.00 AHCY (0.64) AHCYNT5EHINT1TGM2GSK3A
SCHEMBL16113892 1.00 AHCY (0.64) AHCYNT5EHINT1TGM2GSK3A
SCHEMBL17439986 1.00 AHCY (0.64) AHCYNT5EHINT1TGM2GSK3A
SCHEMBL17469466 1.00 AHCY (0.64) AHCYNT5EHINT1TGM2GSK3A
SCHEMBL17198347 0.89 NT5E (0.55) AHCYNT5EHINT1TGM2GSK3A
SCHEMBL16787413 0.88 AHCY (0.59) AHCYNT5EHINT1TGM2HPGD
SCHEMBL26622869 0.88 HINT1 (0.56) AHCYNT5EHINT1TGM2GSK3A
SCHEMBL19130245 0.88 HINT1 (0.56) AHCYNT5EHINT1TGM2GSK3A
Guanosine SCHEMBL17441728 0.87 HPGD (0.70) NT5EHINT1TGM2GSK3ARPS6KA3
SCHEMBL25775138 0.86 NT5E (0.53) AHCYNT5EHINT1TGM2GSK3A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2707487-B1 RIBOSWITCHES UNIV MANCHESTER (GB) 2017-10-04 — — EP disclosed
US-20140213779-A1 RIBOSWITCHES THE UNIVERSITY OF MANCHESTER (GB) 2014-07-31 — — US disclosed
US-20140213779-A1 RIBOSWITCHES THE UNIVERSITY OF MANCHESTER (GB) 2014-07-31 — — US disclosed
WO-2012153142-A2 RIBOSWITCHES THE UNIVERSITY OF MANCHESTER (GB) 2012-11-15 — — WO disclosed
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