SCHEMBL28573111

SCHEMBL28573111

NC(=O)c1cccc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
HTT P42858 2/20 0.58
BLM P54132 2/20 0.58
TSHR P16473 2/20 0.58
TP53 P04637 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
ADORA1 P30542 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
ADORA2A P29274 2/20 0.51
DPP4 P27487 1/20 0.51
MEN1 O00255 1/20 0.51
SLC28A1 O00337 1/20 0.51
MAP3K7 O43318 1/20 0.51
SLC28A2 O43868 1/20 0.51
GAPDH P04406 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL28563610 0.86 SLC29A1 (0.52) SMN1; SMN2ALDH1A1ADORA1ADORA3ADORA2A
SCHEMBL29323480 0.83 KDM4E (0.62) SMN1; SMN2ALDH1A1KDM4EHTTBLM
SCHEMBL29323111 0.83 KDM4E (0.62) SMN1; SMN2ALDH1A1KDM4EHTTBLM
SCHEMBL28519188 0.83 ADORA2A (0.46) MAPTADORA1ADORA3ADORA2AADORA2B
SCHEMBL28586588 0.80 PIM1 (0.52) SMN1; SMN2HTTTP53LMNADNMT1
SCHEMBL5556122 0.79 SLC29A1 (0.58) BLMTP53ADORA3SLC29A1SLC28A3
SCHEMBL29444502 0.78 SLC29A1 (0.61) SMN1; SMN2ALDH1A1HTTTSHRTP53
SCHEMBL1319619 0.78 ADORA3 (0.56) SMN1; SMN2ALDH1A1KDM4EHTTBLM
SCHEMBL8371824 0.78 ADORA3 (0.56) SMN1; SMN2ALDH1A1KDM4EHTTBLM
SCHEMBL31265252 0.78 ADORA3 (0.56) SMN1; SMN2ALDH1A1KDM4EHTTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112812145-B Benzimidazole derivative BI293 and preparation method and application thereof 中国人民解放军东部战区总医院 2021-12-21 CN claimed
CN-112812145-A Benzimidazole derivative BI293 and preparation method and application thereof 中国人民解放军东部战区总医院 2021-05-18 CN claimed
CN-112812145-B Benzimidazole derivative BI293 and preparation method and application thereof 中国人民解放军东部战区总医院 2021-12-21 CN disclosed
CN-112812145-A Benzimidazole derivative BI293 and preparation method and application thereof 中国人民解放军东部战区总医院 2021-05-18 CN disclosed