SCHEMBL9851856

SCHEMBL9851856

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CO)O[C@H]1n1ncc2c(=O)[nH]cnc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.37
ALB P02768 1/20 0.37
MAPK1 P28482 1/20 0.37
TLR7 Q9NYK1 3/20 0.36
STING1 Q86WV6 1/20 0.35
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9851701 0.91 ALDH1A1 (0.37) ALDH1A1LMNAALBMAPK1STING1
SCHEMBL9851837 0.90 ALDH1A1 (0.35) ALDH1A1LMNAALBMAPK1TLR7
SCHEMBL9851757 0.85 ALDH1A1 (0.40) ALDH1A1LMNAALBMAPK1TLR7
SCHEMBL9851820 0.83 ALDH1A1 (0.39) ALDH1A1LMNAALBMAPK1TLR7
SCHEMBL9851859 0.82 ALDH1A1 (0.39) ALDH1A1LMNAALBMAPK1STING1
SCHEMBL9851799 0.81 ALDH1A1 (0.34) ALDH1A1STING1HTTMAPT
SCHEMBL9851714 0.80 ALDH1A1 (0.43) ALDH1A1LMNAALBMAPK1TLR7
SCHEMBL9851862 0.80 MEN1 (0.39) ALDH1A1LMNASTING1MAPTMEN1
SCHEMBL9851747 0.80 SMN1; SMN2 (0.39) ALDH1A1LMNASTING1MAPTMEN1
SCHEMBL9851804 0.80 NT5E (0.41) ALDH1A1LMNAALBMAPK1TLR7

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