SCHEMBL28542518

SCHEMBL28542518

O=c1[nH]cnc2c1nc(Br)n2[C@@H]1O[C@H](CO)C[C@H]1O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
ALB P02768 1/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TLR7 Q9NYK1 4/20 0.38
NADK O95544 1/20 0.36
PNP P00491 3/20 0.36
SLC28A2 O43868 1/20 0.35
TYMP P19971 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL28526247 0.83 PNP (0.52) ALDH1A1TLR7PNPMAPTBLM
SCHEMBL23202125 0.83 PNP (0.52) ALDH1A1TLR7PNPMAPTBLM
SCHEMBL3701954 0.80 NADK (0.57) LMNANADKMAPTPMP22TSHR
SCHEMBL3704527 0.80 NADK (0.57) LMNANADKMAPTPMP22TSHR
SCHEMBL16695890 0.79 ALDH1A1 (0.65) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL12174030 0.79 ALDH1A1 (0.65) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL20938192 0.76 ALDH1A1 (0.43) ALDH1A1LMNAALBMAPK1
SCHEMBL9851714 0.74 ALDH1A1 (0.43) ALDH1A1LMNAALBMAPK1MEN1
SCHEMBL8692668 0.74 ALDH1A1 (0.38) ALDH1A1LMNAALBMAPK1MEN1
SCHEMBL20224892 0.72 LMNA (0.43) ALDH1A1LMNAALBMAPK1

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
CN-112533607-A TLR7 agonists 普利缪尼治疗学股份有限公司 2021-03-19 CN disclosed