SCHEMBL11683092

SCHEMBL11683092

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C(O)C1O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 5/20 0.54
MARS1 P56192 1/20 0.52
INMT O95050 3/20 0.51
GSK3A P49840 2/20 0.51
RPS6KA3 P51812 2/20 0.51
MAPK14 Q16539 2/20 0.51
ADORA2A P29274 3/20 0.49
ADORA2B P29275 3/20 0.49
ADORA3 P0DMS8 3/20 0.49
ADORA1 P30542 3/20 0.49

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
SCHEMBL225270 0.92 MARS1 (0.62) HINT1MARS1INMTGSK3ARPS6KA3
SCHEMBL11772880 0.92 MARS1 (0.62) HINT1MARS1INMTGSK3ARPS6KA3
Inosine SCHEMBL8836252 0.89 ADORA2A (0.55) INMTADORA2AADORA2BADORA3ADORA1
SCHEMBL21067651 0.84 P2RY1 (0.60) INMTADORA1
Adenosine Phosphate SCHEMBL15670577 0.81 P2RY1 (0.65) INMTADORA1
Adenosine Phosphate SCHEMBL2037385 0.81 P2RY1 (0.65) INMTADORA1
Adenosine SCHEMBL225269 0.81 INMT (0.61) INMTADORA2AADORA2BADORA3ADORA1
Adenosine SCHEMBL225271 0.81 INMT (0.61) INMTADORA2AADORA2BADORA3ADORA1
Adenosine SCHEMBL28133223 0.80 INMT (0.63) INMTADORA2AADORA2BADORA3ADORA1
SCHEMBL6516517 0.80 P2RY12 (0.62) ADORA1

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-4016037-A FERMENTING A HYDANTOIN COMPOUND WITH FLAVOBACTERIUM AMINOGENES OR ITS ENZYMES AJINOMOTO CO., INC. (JA) 1977-04-05 US disclosed