SCHEMBL11426071

SCHEMBL11426071

O=S(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA4 P22748 1/20 0.58
CA9 Q16790 1/20 0.58
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
ADORA1 P30542 3/20 0.49
HINT1 P49773 2/20 0.49
ADORA3 P0DMS8 4/20 0.48
SARS1 P49591 2/20 0.48
IMPDH2 P12268 2/20 0.48
CA5A P35218 1/20 0.48
NT5E P21589 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
RXFP1 Q9HBX9 1/20 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
SCHEMBL5665368 0.87 TAS1R3 (0.60) TAS1R3TAS1R1ADORA1ADORA3SARS1
SCHEMBL4581312 0.84 ADORA3 (0.66) CA1CA2CA4CA9ADORA1
Xanthosine SCHEMBL188120 0.83 LMNA (0.65) ADORA1ADORA3NT5EADORA2AADORA2B
Xanthosine SCHEMBL11523732 0.83 LMNA (0.65) ADORA1ADORA3NT5EADORA2AADORA2B
Xanthosine SCHEMBL6676995 0.83 LMNA (0.65) ADORA1ADORA3NT5EADORA2AADORA2B
Xanthosine SCHEMBL8665102 0.83 LMNA (0.65) ADORA1ADORA3NT5EADORA2AADORA2B
SCHEMBL188740 0.83 CA5A (0.68) TAS1R3TAS1R1ADORA1IMPDH2CA5A
Ammonia Solution, Strong SCHEMBL4362929 0.82 CA5A (0.67) TAS1R3TAS1R1ADORA1IMPDH2CA5A
Xanthosine SCHEMBL5352244 0.82 LMNA (0.63) ADORA1ADORA3NT5EADORA2AADORA2B
SCHEMBL2513837 0.81 P2RY1 (0.67) CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4242505-A S-Adenosyl-L-methionine compositions and production thereof YAMASA SHOYU KABUSHIKI KAISHA (JP) 1980-12-30 US claimed
US-4242505-A S-Adenosyl-L-methionine compositions and production thereof YAMASA SHOYU KABUSHIKI KAISHA (JP) 1980-12-30 US disclosed