SCHEMBL11772880

SCHEMBL11772880

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)[C@@H](O)[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.62
GSK3A P49840 2/20 0.60
RPS6KA3 P51812 2/20 0.60
MAPK14 Q16539 2/20 0.60
INMT O95050 3/20 0.60
HINT1 P49773 1/20 0.56
ADORA2A P29274 2/20 0.54
ADORA2B P29275 2/20 0.54
ADORA1 P30542 2/20 0.54
ADORA3 P0DMS8 1/20 0.54
ABCB1 P08183 1/20 0.53
NNMT P40261 1/20 0.53
DNPH1 O43598 1/20 0.53
PRKAB2 O43741 1/20 0.53
TRPM2 O94759 1/20 0.53
LDHA P00338 1/20 0.53
ADRB2 P07550 1/20 0.53
FBP1 P09467 1/20 0.53
SRC P12931 1/20 0.53
P2RY2 P41231 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
SCHEMBL225270 1.00 MARS1 (0.62) MARS1GSK3ARPS6KA3MAPK14INMT
SCHEMBL11683092 0.92 HINT1 (0.54) MARS1GSK3ARPS6KA3MAPK14INMT
SCHEMBL21067651 0.91 P2RY1 (0.60) INMTADORA1DNPH1PRKAB2TRPM2
Adenosine SCHEMBL225271 0.89 INMT (0.61) INMTADORA2AADORA2BADORA1ADORA3
Adenosine SCHEMBL225269 0.89 INMT (0.61) INMTADORA2AADORA2BADORA1ADORA3
Adenosine Phosphate SCHEMBL2037385 0.89 P2RY1 (0.65) INMTADORA1DNPH1PRKAB2TRPM2
Adenosine Phosphate SCHEMBL15670577 0.89 P2RY1 (0.65) INMTADORA1DNPH1PRKAB2TRPM2
Adenosine SCHEMBL28133223 0.88 INMT (0.63) INMTADORA2AADORA2BADORA1ADORA3
SCHEMBL13268770 0.83 INMT (0.68) GSK3ARPS6KA3MAPK14INMTHINT1
Adenosine Phosphate SCHEMBL15670433 0.83 P2RY1 (0.58) INMTADORA1DNPH1PRKAB2TRPM2

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-3937809-A ADDITION COMPOUND OF A NUCLEOTIDE AND AN AMINO ACID AND THE USE THEREOF IN PROTECTION AGAINST ACTINIC RADIATION KOLMAR LABORATORIES, INC. (US) 1976-02-10 US disclosed