SCHEMBL9548823

SCHEMBL9548823

Cc1cn([C@@]2(CI)CC(O[Si](C)(C)C(C)(C)C)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
ALB P02768 1/20 0.36
POLB P06746 1/20 0.36
ADRA1A P35348 1/20 0.36
BLM P54132 1/20 0.36
RNASE1 P07998 1/20 0.35
TOP2A P11388 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TK2 O00142 1/20 0.35

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
SCHEMBL9548818 1.00 TK1 (0.38) TK1ALDH1A1LMNAALBPOLB
SCHEMBL28168107 0.87 TK1 (0.39) TK1ALDH1A1LMNAALBPOLB
SCHEMBL8931958 0.75 TYMP (0.38) TK1TK2
SCHEMBL28641784 0.75 TK1 (0.41) TK1LMNAALBBLMRNASE1
SCHEMBL4581987 0.74 TK1 (0.40) TK1ALDH1A1LMNAALBPOLB
SCHEMBL29508780 0.74 TK1 (0.38) TK1ALDH1A1LMNAALBBLM
SCHEMBL9062998 0.73 RNASE1 (0.40) TK1ALDH1A1RNASE1NPSR1TK2
SCHEMBL14388593 0.73 TK1 (0.43) TK1ALDH1A1LMNAALBPOLB
SCHEMBL27436150 0.73 TK1 (0.43) TK1ALDH1A1LMNAALBPOLB
SCHEMBL24059196 0.72 RNASE1 (0.62) TK1LMNAALBBLMRNASE1

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-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed