SCHEMBL10816183

SCHEMBL10816183

O=[N+]([O-])c1nccn1C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
CDA P32320 1/20 0.55
ADORA3 P0DMS8 5/20 0.51
TP53 P04637 3/20 0.46
LMNA P02545 2/20 0.46
MTOR P42345 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
BLM P54132 2/20 0.46
THRB P10828 1/20 0.46
MDM2 Q00987 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
GMNN O75496 1/20 0.46
NFKB1 P19838 1/20 0.46
DNMT1 P26358 1/20 0.46
THPO P40225 1/20 0.46
RAB9A P51151 1/20 0.46
HBB P68871 1/20 0.46
PMP22 Q01453 1/20 0.46

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
SCHEMBL5911861 0.99 MAPT (0.56) MAPTCDAADORA3TP53LMNA
SCHEMBL12071279 0.99 MAPT (0.56) MAPTCDAADORA3TP53LMNA
SCHEMBL5911672 0.99 MAPT (0.56) MAPTCDAADORA3TP53LMNA
SCHEMBL5911675 0.99 MAPT (0.56) MAPTCDAADORA3TP53LMNA
SCHEMBL5911868 0.99 MAPT (0.56) MAPTCDAADORA3TP53LMNA
SCHEMBL11070054 0.99 MAPT (0.56) MAPTCDAADORA3TP53LMNA
SCHEMBL5912634 0.91 MAPT (0.49) MAPTCDAADORA3TP53LMNA
SCHEMBL5911833 0.91 MAPT (0.49) MAPTCDAADORA3TP53LMNA
SCHEMBL7597505 0.89 MAPT (0.42) MAPTCDAADORA3TP53BLM
SCHEMBL5912623 0.88 MAPT (0.44) MAPTCDAADORA3TP53LMNA

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-0100363-B1 NITROIMIDAZOLE RADIOSENSITIZERS AND PHARMACEUTICAL COMPOSITIONS THEREOF Research Corporation (US) 1987-05-06 EP disclosed