SCHEMBL10975481

SCHEMBL10975481

O=c1[nH]c(=O)n(CCCO)c(=O)n1CCCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.55
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
KDM4E B2RXH2 2/20 0.41
PDE4A P27815 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
UNG P13051 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAPT P10636 3/20 0.35
KMT2A Q03164 2/20 0.34
PABPC1 P11940 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL29251515 0.88 APEX1 (0.48) APEX1ALDH1A1HPGDKDM4EPDE4A
SCHEMBL838140 0.86 APEX1 (0.59) APEX1ALDH1A1HPGDPDE4APDE4B
SCHEMBL398824 0.83 PDE4A (0.42) APEX1ALDH1A1HPGDKDM4EPDE4A
SCHEMBL31591579 0.82 ALDH1A1 (0.49) APEX1ALDH1A1HPGDKDM4EPDE4A
SCHEMBL9230353 0.82 ALDH1A1 (0.50) APEX1ALDH1A1HPGDKDM4EPDE4A
SCHEMBL13788796 0.78 PDE4A (0.40) ALDH1A1HPGDKDM4EPDE4AADORA2A
SCHEMBL11637084 0.77 MAPT (0.53) APEX1ALDH1A1KDM4EPDE4AADORA2A
SCHEMBL28502148 0.77 APEX1 (0.50) APEX1ALDH1A1HPGDKDM4EPDE4A
SCHEMBL6520401 0.77 APEX1 (0.78) APEX1ALDH1A1HPGDKDM4EGAA
SCHEMBL1947188 0.77 MAPT (0.49) ALDH1A1HPGDKDM4EMAPTKMT2A

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-103058945-B A kind of Halamine antibacterial agent based on cyanuric acid and synthetic method thereof and application JIANGNAN UNIVERSITY (CN) 2016-02-03 CN claimed
CN-103058945-B A kind of Halamine antibacterial agent based on cyanuric acid and synthetic method thereof and application JIANGNAN UNIVERSITY (CN) 2016-02-03 CN disclosed
EP-0044872-B1 PROCESS FOR SELECTIVELY SEPARATING WATER-SOLUBLE VALUABLE MATERIALS FROM AN AQUEOUS SOLUTION CONTAINING SAME TORAY INDUSTRIES, INC. (JP) 1985-09-18 EP disclosed
EP-0044872-A1 PROCESS FOR SELECTIVELY SEPARATING WATER-SOLUBLE VALUABLE MATERIALS FROM AN AQUEOUS SOLUTION CONTAINING SAME TORAY INDUSTRIES, INC. (JP) 1982-02-03 EP disclosed