SCHEMBL9548763

SCHEMBL9548763

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 9/20 0.49
ALB P02768 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
ADRA1A P35348 1/20 0.44
BLM P54132 1/20 0.44
PKM P14618 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
SCHEMBL15184742 0.89 TK1 (0.50) TK1ALBALDH1A1LMNAPOLB
SCHEMBL9548701 0.88 TK1 (0.43) TK1
SCHEMBL9548728 0.85 TK1 (0.41) TK1ALDH1A1
SCHEMBL9548652 0.82 TK1 (0.51) TK1ALBALDH1A1LMNAPOLB
SCHEMBL24695053 0.81 TK1 (0.50) TK1ALBALDH1A1LMNAPOLB
SCHEMBL17739409 0.81 TK1 (0.48) TK1ALBALDH1A1LMNAPOLB
SCHEMBL23622010 0.80 TK1 (0.49) TK1ALBALDH1A1LMNAPOLB
SCHEMBL9548830 0.79 SLC28A1 (0.40)
SCHEMBL9548824 0.79 SLC28A1 (0.40)
SCHEMBL20833453 0.78 TK1 (0.47) TK1ALBALDH1A1LMNAPOLB

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