SCHEMBL881950

SCHEMBL881950

O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)n1)c1ccccc1

nearest known ligand 0.92

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 5/20 0.61
P2RY14 Q15391 2/20 0.61
NT5E P21589 1/20 0.61
ABL1 P00519 1/20 0.59
RIN1 Q13671 1/20 0.59
POLB P06746 1/20 0.58
LMNA P02545 1/20 0.50
THRB P10828 1/20 0.50
MTOR P42345 1/20 0.50
MDM2 Q00987 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
P2RY2 P41231 3/20 0.48
P2RY4 P51582 3/20 0.48
MAPT P10636 1/20 0.45
CDA P32320 1/20 0.45
ST6GAL1 P15907 1/20 0.42

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
SCHEMBL432297 1.00 P2RY6 (0.61) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL432298 1.00 P2RY6 (0.61) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL432296 1.00 P2RY6 (0.61) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL22972654 0.94 P2RY6 (0.55) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL31160212 0.93 P2RY6 (0.61) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL16904894 0.93 P2RY6 (0.61) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL31160188 0.93 P2RY6 (0.61) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL18852530 0.92 P2RY6 (0.70) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL565905 0.92 P2RY6 (0.70) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL16805383 0.92 P2RY6 (0.70) P2RY6P2RY14NT5EABL1RIN1

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
WO-2012040124-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 WO disclosed
EP-0570514-A4 METHYLENE PHOSPHONATE NUCLEOSIDE ANALOGS AND OLIGONUCLEOTIDE ANALOGS MADE THEREFROM GILEAD SCIENCES INC (US) 1994-08-17 EP disclosed
EP-0570514-A1 METHYLENE PHOSPHONATE NUCLEOSIDE ANALOGS AND OLIGONUCLEOTIDE ANALOGS MADE THEREFROM GILEAD SCIENCES, INC. (US) 1993-11-24 EP disclosed