SCHEMBL733418

SCHEMBL733418

CONc1ccn([C@H]2C[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](C(OC(=O)c3ccccc3C(=O)Oc3ccccc3C#N)C(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)n1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
P2RY2 P41231 1/20 0.31
P2RY4 P51582 1/20 0.31
P2RY6 Q15077 1/20 0.31

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
SCHEMBL733412 0.86 RNMT (0.30)
SCHEMBL733590 0.84 P2RY6 (0.36) POLBP2RY2P2RY4P2RY6
SCHEMBL753363 0.82 POLB (0.34) POLB
SCHEMBL733419 0.79
SCHEMBL440942 0.76 POLB (0.38) POLB
SCHEMBL343674 0.76 POLB (0.45) POLBP2RY2P2RY4P2RY6
SCHEMBL733570 0.73 POLB (0.39) POLBP2RY2P2RY4P2RY6
SCHEMBL2056493 0.73
SCHEMBL8658428 0.72 POLB (0.49) POLBP2RY2P2RY4P2RY6
SCHEMBL733926 0.72 POLB (0.38) POLBP2RY2P2RY4P2RY6

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
US-8138330-B2 Solid phase synthesis via deblocking immobilized nucleoside, then coupling acyl protected nucleoside phosphoramidite SIGMA-ALDRICH CO. LLC (US) 2012-03-20 US disclosed