SCHEMBL28523446

SCHEMBL28523446

OCC1(CO)OB(c2nc(-c3ccccc3)c3ccccc3n2)OC1(CO)CO

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ MAPT P10636 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ NUDT1 P36639 3/20 0.44
▸ ADORA2A P29274 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL20104346 0.82 NUDT1 (0.46) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL21709413 0.80 LPL (0.51) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL28516038 0.77 MEN1 (0.44) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL29836046 0.69 — —
SCHEMBL28469295 0.69 LIPG (0.47) ALDH1A1KDM4EHPGDGLAMAPT
SCHEMBL28466994 0.69 TSHR (0.40) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL28828182 0.67 LIPG (0.42) ALDH1A1GAAMAPTLMNA
SCHEMBL10679885 0.66 ADORA2A (0.60) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL24149672 0.65 MEN1 (0.51) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL27360056 0.65 MEN1 (0.45) ALDH1A1KDM4EHPGDGAAMAPT

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-112262144-A Compound, organic electroluminescent device and display device SK材料有限公司 2021-01-22 — — CN disclosed
Send feedback