SCHEMBL9780701

SCHEMBL9780701

CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1NC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ DNMT1 P26358 5/20 0.49
▸ ADRB1 P08588 1/20 0.48
▸ DNMT3B Q9UBC3 1/20 0.47
▸ TK2 O00142 1/20 0.46
▸ TK1 P04183 1/20 0.46
▸ ABL1 P00519 1/20 0.45
▸ RIN1 Q13671 1/20 0.45

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
SCHEMBL9780708 1.00 POLB (0.51) POLBDNMT1ADRB1DNMT3BTK2
SCHEMBL9780709 0.92 DNMT1 (0.45) POLBDNMT1ADRB1DNMT3B
SCHEMBL9780702 0.92 DNMT1 (0.45) POLBDNMT1ADRB1DNMT3B
SCHEMBL6466613 0.90 POLB (0.52) POLBDNMT1ADRB1DNMT3BABL1
SCHEMBL21886710 0.90 POLB (0.52) POLBDNMT1ADRB1DNMT3BABL1
SCHEMBL5953531 0.90 POLB (0.52) POLBDNMT1ADRB1DNMT3BABL1
SCHEMBL21538134 0.88 POLB (0.52) POLBDNMT1ADRB1DNMT3BTK1
SCHEMBL12060249 0.86 DNMT1 (0.46) POLBDNMT1ADRB1DNMT3BABL1
SCHEMBL25504696 0.84 POLB (0.46) POLBDNMT1ADRB1ABL1RIN1
SCHEMBL9780721 0.83 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5010060-A Method of treating herpes simplex viral infection employing pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1991-04-23 — — US disclosed
US-4851519-A AMIDO NUCLEOSIDES, VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1989-07-25 — — US disclosed
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