SCHEMBL9780916

SCHEMBL9780916

CCc1cn([C@@H]2CC(OCc3ccccc3)[C@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.58
TK1 P04183 3/20 0.55
TK2 O00142 2/20 0.55

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
SCHEMBL9780910 1.00 RNASE1 (0.58) RNASE1TK1TK2
SCHEMBL9780799 0.90 RNASE1 (0.46) RNASE1TK1TK2
SCHEMBL9780789 0.90 RNASE1 (0.46) RNASE1TK1TK2
SCHEMBL31355237 0.89 RNASE1 (0.72) RNASE1TK1TK2
SCHEMBL9097516 0.87 LMNA (0.63) RNASE1TK1TK2
SCHEMBL9097523 0.87 LMNA (0.63) RNASE1TK1TK2
SCHEMBL9780593 0.86 TK1 (0.62) RNASE1TK1TK2
SCHEMBL9780588 0.86 TK1 (0.62) RNASE1TK1TK2
SCHEMBL9780827 0.85 TK1 (0.44) RNASE1TK1
SCHEMBL9780832 0.85 TK1 (0.44) RNASE1TK1

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