SCHEMBL9851804

SCHEMBL9851804

CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@H](n2ncc3c(=O)[nH]cnc32)O1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.41
ALDH1A1 P00352 2/20 0.38
STING1 Q86WV6 3/20 0.38
TYMP P19971 3/20 0.35
LMNA P02545 1/20 0.34
ALB P02768 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.33
ATG7 O95352 1/20 0.33
P2RX3 P56373 1/20 0.32
TOP2A P11388 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL9851876 0.90 NT5E (0.40) NT5EALDH1A1STING1TYMPLMNA
SCHEMBL9851701 0.88 ALDH1A1 (0.37) NT5EALDH1A1STING1LMNAALB
SCHEMBL9851738 0.85 STING1 (0.40) NT5EALDH1A1STING1TYMPLMNA
SCHEMBL9851714 0.84 ALDH1A1 (0.43) NT5EALDH1A1STING1LMNAALB
SCHEMBL9851873 0.83 ATG7 (0.48) NT5EALDH1A1TYMPATG7P2RX3
SCHEMBL9851855 0.81 NT5E (0.37) NT5EALDH1A1STING1TYMPLMNA
SCHEMBL9851856 0.80 ALDH1A1 (0.39) ALDH1A1STING1LMNAALBMAPK1
SCHEMBL9851711 0.80 MAPT (0.45) NT5ESTING1TYMPLMNAMAPT
SCHEMBL9851748 0.80 ATG7 (0.39) NT5EALDH1A1STING1TYMPMAPT
SCHEMBL9851863 0.79 LPAR1 (0.36) NT5EALDH1A1STING1

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