SCHEMBL9706035

SCHEMBL9706035

O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1)c1ccccc1.O=C(Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.68
ABL1 P00519 1/20 0.61
RIN1 Q13671 1/20 0.61
P2RY6 Q15077 5/20 0.60
P2RY14 Q15391 2/20 0.60
NT5E P21589 1/20 0.60
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
MAPT P10636 1/20 0.45
CDA P32320 1/20 0.45
P2RY2 P41231 3/20 0.44
P2RY4 P51582 3/20 0.44
DNMT1 P26358 2/20 0.44
ADRB1 P08588 1/20 0.44
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
SCHEMBL264065 0.94 POLB (0.76) POLBABL1RIN1P2RY6P2RY14
SCHEMBL14733368 0.94 POLB (0.76) POLBABL1RIN1P2RY6P2RY14
SCHEMBL264066 0.94 POLB (0.76) POLBABL1RIN1P2RY6P2RY14
SCHEMBL28795634 0.94 POLB (0.76) POLBABL1RIN1P2RY6P2RY14
SCHEMBL14568629 0.93 POLB (0.72) POLBABL1RIN1P2RY6P2RY14
SCHEMBL14429249 0.93 POLB (0.72) POLBABL1RIN1P2RY6P2RY14
SCHEMBL14568644 0.93 POLB (0.72) POLBABL1RIN1P2RY6P2RY14
SCHEMBL14429239 0.93 POLB (0.72) POLBABL1RIN1P2RY6P2RY14
Phosphoric Acid SCHEMBL23748501 0.91 POLB (0.72) POLBABL1RIN1P2RY6P2RY14
SCHEMBL16805383 0.91 P2RY6 (0.70) POLBABL1RIN1P2RY6P2RY14

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
EP-0216860-B1 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS SUMMERTON, James (US) 1992-10-28 EP disclosed