SCHEMBL9851714

SCHEMBL9851714

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.42
ALB P02768 1/20 0.42
MAPK1 P28482 1/20 0.42
STING1 Q86WV6 1/20 0.41
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PNP P00491 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
SLC29A1 Q99808 1/20 0.35
NT5E P21589 1/20 0.34
ATG7 O95352 1/20 0.34

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
SCHEMBL9851738 0.88 STING1 (0.40) ALDH1A1LMNAALBMAPK1STING1
SCHEMBL9851757 0.84 ALDH1A1 (0.40) ALDH1A1LMNAALBMAPK1STING1
SCHEMBL9851804 0.84 NT5E (0.41) ALDH1A1LMNAALBMAPK1STING1
SCHEMBL9851711 0.82 MAPT (0.45) LMNASTING1MAPTMEN1KMT2A
SCHEMBL9851855 0.82 NT5E (0.37) ALDH1A1LMNAALBMAPK1STING1
SCHEMBL12541656 0.81 ADRB1 (0.46) ALDH1A1LMNAALBMAPK1HTT
SCHEMBL9851820 0.80 ALDH1A1 (0.39) ALDH1A1LMNAALBMAPK1STING1
SCHEMBL9851856 0.80 ALDH1A1 (0.39) ALDH1A1LMNAALBMAPK1STING1
SCHEMBL9851876 0.80 NT5E (0.40) ALDH1A1LMNAALBMAPK1STING1
SCHEMBL6912032 0.80 ALDH1A1 (0.55) ALDH1A1LMNAMAPTHTTMEN1

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