SCHEMBL21162573

SCHEMBL21162573

C[C@H](NP(=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)CC1O)Oc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
P2RY2 P41231 3/20 0.46
P2RY4 P51582 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
P2RY6 Q15077 2/20 0.46
BTN3A1 O00481 1/20 0.44
TYMS P04818 1/20 0.43
ST6GAL1 P15907 3/20 0.42
NT5E P21589 1/20 0.42
DUT P33316 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
SCHEMBL18714594 1.00 POLB (0.53) POLBP2RY2P2RY4CYP3A4CYP2C9
SCHEMBL22348832 1.00 POLB (0.53) POLBP2RY2P2RY4CYP3A4CYP2C9
SCHEMBL19227905 1.00 POLB (0.53) POLBP2RY2P2RY4CYP3A4CYP2C9
SCHEMBL22348866 0.95 POLB (0.50) POLBP2RY2P2RY4CYP3A4CYP2C9
SCHEMBL22348867 0.95 POLB (0.50) POLBP2RY2P2RY4CYP3A4CYP2C9
SCHEMBL22348842 0.93 POLB (0.55) POLBP2RY2P2RY4CYP3A4CYP2C9
SCHEMBL22348843 0.93 POLB (0.55) POLBP2RY2P2RY4CYP3A4CYP2C9
SCHEMBL19831365 0.92 POLB (0.53) POLBP2RY2P2RY4CYP3A4CYP2C9
SCHEMBL19821229 0.92 POLB (0.53) POLBP2RY2P2RY4CYP3A4CYP2C9
SCHEMBL23104998 0.92 CYP3A4 (0.55) POLBP2RY2P2RY4CYP3A4CYP2C9

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-2019136389-A1 NUCLEOTIDE PRODRUGS CERECOR, INC. (US) 2019-07-11 WO disclosed