SCHEMBL6910499

SCHEMBL6910499

Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COC(c2ccccc2)([N+](=O)[O-])[N+](=O)[O-])O1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.57
POLB P06746 1/20 0.57
ENPP1 P22413 3/20 0.57
P2RY1 P47900 2/20 0.57
ADORA1 P30542 4/20 0.53
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
NT5E P21589 2/20 0.46
SLC29A1 Q99808 1/20 0.46
DTYMK P23919 2/20 0.45
DNPH1 O43598 1/20 0.45
PRKAB2 O43741 1/20 0.45
TRPM2 O94759 1/20 0.45
LDHA P00338 1/20 0.45
ADRB2 P07550 1/20 0.45
FBP1 P09467 1/20 0.45
SRC P12931 1/20 0.45
P2RY2 P41231 1/20 0.45
PRKAG1 P54619 1/20 0.45

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
SCHEMBL7065756 0.87 TYMP (0.71) TYMPPOLBENPP1P2RY1ADORA1
SCHEMBL7065752 0.87 TYMP (0.71) TYMPPOLBENPP1P2RY1ADORA1
SCHEMBL1774839 0.81 TYMP (0.63) TYMPPOLBENPP1P2RY1ADORA1
SCHEMBL1774838 0.81 TYMP (0.63) TYMPPOLBENPP1P2RY1ADORA1
SCHEMBL29529385 0.81 TYMP (0.63) TYMPPOLBENPP1P2RY1ADORA1
SCHEMBL7871248 0.81 TYMP (0.63) TYMPPOLBENPP1P2RY1ADORA1
SCHEMBL29574745 0.81 TYMP (0.63) TYMPPOLBENPP1P2RY1ADORA1
SCHEMBL888141 0.79 ENPP1 (0.58) TYMPPOLBENPP1P2RY1ADORA1
SCHEMBL338780 0.79 POLB (0.60) TYMPPOLBENPP1P2RY1
SCHEMBL1140505 0.79 POLB (0.60) TYMPPOLBENPP1P2RY1ADORA1

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
EP-0866071-B1 Modified primers HOFFMANN LA ROCHE (CH) 2004-10-20 EP disclosed
US-6001611-A OLIGONUCLEOTIDE PRIMER WITH NUCLEOTIDE TOWARDS THE 3' TERMINAL MODIFIED BY ADDITION OF GROUP ONTO EXOCYCLIC AMINE; RESULTS IN LESS NON-SPECIFIC PRODUCT, PARTICULARLY, PRIMER DIMER, AND A GREATER YIELD ROCHE MOLECULAR SYSTEMS, INC. (US) 1999-12-14 US disclosed
EP-0866071-A2 Modified primers F. HOFFMANN-LA ROCHE AG (CH) 1998-09-23 EP disclosed