SCHEMBL13615610

SCHEMBL13615610

CO[C@H]1C(n2cc(C)c(NC(=O)c3ccccc3)nc2=O)O[C@@](CO)(C(C)C)[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
P2RY6 Q15077 4/20 0.36
P2RY14 Q15391 2/20 0.35
NT5E P21589 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
ADORA3 P0DMS8 3/20 0.32
TMIGD3 P0DMS9 1/20 0.32

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
SCHEMBL13615885 0.85 P2RY6 (0.49) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL2972166 0.79 P2RY6 (0.44) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL2972162 0.79 P2RY6 (0.44) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL13615540 0.78 PRMT6 (0.46) P2RY6CYP3A4ADORA3ADORA2AADORA1
SCHEMBL19407903 0.77 POLB (0.42) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL1096454 0.76 ABL1 (0.42) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL19814666 0.76 ABL1 (0.42) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL14929222 0.76 ABL1 (0.42) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL17614013 0.76 ABL1 (0.39) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL26499782 0.76 ABL1 (0.42) ABL1RIN1P2RY6P2RY14NT5E

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
WO-2009143369-A2 METHOD OF PREPARING NUCLEOSIDES AND ANALOGS THEREOF WITHOUT USING CHROMATOGRAPHY ISIS PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed