SCHEMBL16057443

SCHEMBL16057443

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)[C@H](CCS)NO)[C@@H](O)[C@H]1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.66
PLA2G2A P14555 1/20 0.63
PRKACA P17612 2/20 0.62
P2RY1 P47900 4/20 0.61
P2RY2 P41231 3/20 0.61
ADORA1 P30542 2/20 0.61
SRC P12931 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
DNPH1 O43598 1/20 0.61
PRKAB2 O43741 1/20 0.61
TRPM2 O94759 1/20 0.61
LDHA P00338 1/20 0.61
ADRB2 P07550 1/20 0.61
FBP1 P09467 1/20 0.61
PRKAG1 P54619 1/20 0.61
PRKAA2 P54646 1/20 0.61
PDE4D Q08499 1/20 0.61
KCNH2 Q12809 1/20 0.61
PRKAA1 Q13131 1/20 0.61
PDE3A Q14432 1/20 0.61

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
SCHEMBL16056094 0.93 MARS1 (0.66) MARS1PLA2G2APRKACAP2RY1P2RY2
SCHEMBL6408983 0.88 MARS1 (0.80) MARS1PRKACAP2RY1P2RY2ADORA1
SCHEMBL6408975 0.88 MARS1 (0.80) MARS1PRKACAP2RY1P2RY2ADORA1
SCHEMBL6704430 0.84 PRKACA (0.75) MARS1PLA2G2APRKACAP2RY1P2RY2
SCHEMBL2761284 0.84 MARS1 (0.74) MARS1PLA2G2APRKACAP2RY1P2RY2
SCHEMBL8846496 0.83 MARS1 (0.73) MARS1PLA2G2APRKACAP2RY1P2RY2
SCHEMBL1757017 0.83 ADORA1 (0.73) MARS1PLA2G2APRKACAP2RY1P2RY2
SCHEMBL9426538 0.83 PRKACA (0.73) MARS1PRKACAP2RY1P2RY2ADORA1
SCHEMBL2463542 0.83 PRKACA (0.73) MARS1PRKACAP2RY1P2RY2ADORA1
SCHEMBL19859780 0.83 ADORA1 (0.73) MARS1PLA2G2APRKACAP2RY1P2RY2

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-3116511-A1 COMPOSITIONS OF SELENOORGANIC COMPOUNDS AND METHODS OF USE THEREOF Alltech, Inc. (US) 2017-01-18 EP disclosed
EP-2968404-A1 COMPOSITIONS COMPRISING SELENIUM AND USE OF SAME FOR THE TREATMENT AND PREVENTION OF DISEASE OR CONDITIONS ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION Alltech, Inc. (US) 2016-01-20 EP disclosed
WO-2015137983-A1 COMPOSITIONS OF SELENOORGANIC COMPOUNDS AND METHODS OF USE THEREOF ALLTECH, INC. (US) 2015-09-17 WO disclosed
WO-2014144776-A1 COMPOSITIONS COMPRISING SELENIUM AND USE OF SAME FOR THE TREATMENT AND PREVENTION OF DISEASE OR CONDITIONS ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION ALLTECH, INC. (US) 2014-09-18 WO disclosed