SCHEMBL29952186

SCHEMBL29952186

OC[C@H]1O[C@@H](n2cnc3c2NC=N[C@@H]3O)[C@H](O)[C@@H]1O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 4/20 0.69
AMPD3 Q01432 2/20 0.69
ADORA3 P0DMS8 3/20 0.62
ADORA1 P30542 3/20 0.62
ATIC P31939 1/20 0.51
ALDH1A1 P00352 2/20 0.48
TP53 P04637 2/20 0.48
HTT P42858 2/20 0.48
BLM P54132 2/20 0.48
LMNA P02545 2/20 0.48
GMNN O75496 1/20 0.48
NFKB1 P19838 1/20 0.48
DNMT1 P26358 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48
RAB9A P51151 1/20 0.48
HBB P68871 1/20 0.48
PMP22 Q01453 1/20 0.48
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
Coformycin SCHEMBL14031897 0.82 ADA (1.00) ADAAMPD3ADORA3ADORA1ATIC
Coformycin SCHEMBL11184406 0.82 ADA (1.00) ADAAMPD3ADORA3ADORA1ATIC
SCHEMBL18309840 0.76 ADA (0.57) ADAAMPD3ADORA3ADORA1ATIC
SCHEMBL29885458 0.73 ADA (0.63) ADAAMPD3ADORA3ADORA1ATIC
SCHEMBL29823077 0.72 ADA (0.82) ADAAMPD3ADORA3ADORA1ADORA2A
SCHEMBL11529394 0.72 ADA (0.61) ADAAMPD3ADORA3ADORA1ATIC
SCHEMBL24686441 0.71 ADA (0.60) ADAAMPD3ADORA3ADORA1ALDH1A1
Coformycin SCHEMBL13697294 0.71 ADA (0.68) ADAAMPD3ADORA3ADORA1ALDH1A1
Coformycin SCHEMBL13697497 0.71 ADA (0.68) ADAAMPD3ADORA3ADORA1ALDH1A1
SCHEMBL12941100 0.71 ADA (0.60) ADAAMPD3ADORA3ADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250128188-A1 BORONIC ACID CONTAINING AFFINITY MEMBRANES DONALDSON COMPANY, INC. 2025-04-24 US disclosed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed