SCHEMBL9851738

SCHEMBL9851738

O=c1[nH]cnc2c1cnn2[C@@H]1O[C@H](CO[SiH3])C[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 3/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.37
ALB P02768 1/20 0.37
MAPK1 P28482 1/20 0.37
NT5E P21589 1/20 0.37
MAPT P10636 1/20 0.36
TYMP P19971 2/20 0.35
ATG7 O95352 1/20 0.35
HTT P42858 1/20 0.34
P2RX3 P56373 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GSK3A P49840 2/20 0.32
RPS6KA3 P51812 2/20 0.32
MAPK14 Q16539 2/20 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
SCHEMBL9851714 0.88 ALDH1A1 (0.43) STING1ALDH1A1LMNAALBMAPK1
SCHEMBL9851704 0.88 ALDH1A1 (0.39) STING1ALDH1A1LMNAALBMAPK1
SCHEMBL9851804 0.85 NT5E (0.41) STING1ALDH1A1LMNAALBMAPK1
SCHEMBL9851855 0.84 NT5E (0.37) STING1ALDH1A1LMNAALBMAPK1
SCHEMBL9851711 0.84 MAPT (0.45) STING1LMNANT5EMAPTTYMP
SCHEMBL9851876 0.81 NT5E (0.40) STING1ALDH1A1LMNAALBMAPK1
SCHEMBL9851743 0.81 ATG7 (0.52) STING1ALDH1A1LMNANT5ETYMP
SCHEMBL9851916 0.81 LPAR1 (0.36) STING1ALDH1A1NT5E
SCHEMBL9851779 0.81 LPAR1 (0.36) STING1ALDH1A1NT5E
SCHEMBL9851863 0.81 LPAR1 (0.36) STING1ALDH1A1NT5E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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