SCHEMBL19619010

SCHEMBL19619010

Cc1cn([C@H]2CCC[C@@H](O)C2)c(=O)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.48
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ALB P02768 1/20 0.43
POLB P06746 1/20 0.43
ADRA1A P35348 1/20 0.43
BLM P54132 1/20 0.43
DHFR P00374 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
SCHEMBL9297712 0.86 ALDH1A1 (0.47) TK1ALDH1A1LMNAALBPOLB
SCHEMBL17174586 0.84 TK1 (0.43) TK1ALDH1A1LMNAALBPOLB
SCHEMBL30688593 0.76 LMNA (0.51) TK1ALDH1A1LMNAALBPOLB
SCHEMBL9308235 0.76 TK1 (0.52) TK1ALDH1A1LMNAALBPOLB
SCHEMBL9311032 0.75 TK1 (0.60) TK1ALDH1A1LMNAALBPOLB
SCHEMBL19619045 0.74 TK1 (0.51) TK1
SCHEMBL15743265 0.74 TOP2A (0.42) TK1
SCHEMBL19619013 0.74 TOP2A (0.42) TK1
SCHEMBL9470674 0.74 LMNA (0.55) TK1ALDH1A1LMNAALBPOLB
SCHEMBL10171803 0.74 LMNA (0.55) TK1ALDH1A1LMNAALBPOLB

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-9822137-B2 Phosphonucleosides useful in the treatment of viral disorders UNIVERSITY COLLEGE CORK (IE) 2017-11-21 US disclosed