SCHEMBL9851694

SCHEMBL9851694

CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](O)[C@H](n2ncc3c(=O)[nH]cnc32)O[C@@H]1CO

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK2 O00142 4/20 0.49
PRKCA P17252 5/20 0.40
TLR4 O00206 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LY96 Q9Y6Y9 1/20 0.37

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
SCHEMBL9851697 1.00 TK2 (0.49) TK2PRKCATLR4SMN1; SMN2LMNA
SCHEMBL9851708 0.93 TK2 (0.56) TK2PRKCA
SCHEMBL9851692 0.93 TK2 (0.56) TK2PRKCA
SCHEMBL9851814 0.93 TK2 (0.56) TK2PRKCA
SCHEMBL9851871 0.93 TK2 (0.47) TK2PRKCATLR4LY96
SCHEMBL9851726 0.93 TK2 (0.47) TK2PRKCATLR4LY96
SCHEMBL9851791 0.92 TK2 (0.42) TK2SMN1; SMN2LMNA
SCHEMBL9851850 0.92 TK2 (0.42) TK2SMN1; SMN2LMNA
SCHEMBL9851753 0.87 TK2 (0.46) TK2SMN1; SMN2LMNA
SCHEMBL9851891 0.87 TK2 (0.46) TK2SMN1; SMN2LMNA

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
EP-0450102-A1 NUCLEOSIDE DERIVATIVE Yamasa Shoyu Kabushiki Kaisha (JP) 1991-10-09 EP disclosed