SCHEMBL16221825

SCHEMBL16221825

Nc1nc2c(ncn2C2C[C@@H](OP(=O)(S)OC[C@@H]3CC[C@H](n4cnc5c(=O)[nH]c(N)nc54)O3)[C@@H](COP(=O)(O)S)O2)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.56
▸ P2RY2 P41231 1/20 0.48
▸ P2RY4 P51582 1/20 0.48
▸ P2RY6 Q15077 1/20 0.48
▸ NT5E P21589 1/20 0.48
▸ FUT5 Q11128 1/20 0.47
▸ F2 P00734 2/20 0.46
▸ P2RY1 P47900 1/20 0.46
▸ TGM2 P21980 1/20 0.45
▸ KRAS P01116 2/20 0.43
▸ HPRT1 P00492 1/20 0.43

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
SCHEMBL22434567 0.94 POLB (0.51) POLBP2RY2P2RY4P2RY6F2
SCHEMBL20326935 0.94 POLB (0.51) POLBP2RY2P2RY4P2RY6F2
SCHEMBL16221597 0.94 POLB (0.51) POLBP2RY2P2RY4P2RY6F2
SCHEMBL18158912 0.93 POLB (0.50) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL16221824 0.93 POLB (0.50) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL16221826 0.93 F2 (0.55) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL23679650 0.91 POLB (0.48) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL29332777 0.91 POLB (0.48) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL20327045 0.91 POLB (0.48) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL20324708 0.91 POLB (0.48) POLBP2RY2P2RY4P2RY6NT5E

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-2014179625-A1 COMPOSITIONS AND METHODS FOR MODULATING APOLIPOPROTEIN (a) EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2014-11-06 — — WO disclosed
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