SCHEMBL29137898

SCHEMBL29137898

NC(=O)CN(CC(N)=O)CC(N)=O.[Nd]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 2/20 0.39
CYP2C19 P33261 2/20 0.39
BLM P54132 2/20 0.39
PMP22 Q01453 2/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3749558 0.96 TDP1 (0.41) TDP1LMNAALDH1A1KDM4EALOX15
Hydrochloric Acid SCHEMBL5872402 0.93 TDP1 (0.39) TDP1LMNAALDH1A1KDM4EALOX15
SCHEMBL233033 0.84 TDP1 (0.55) TDP1LMNAALDH1A1KDM4EALOX15
SCHEMBL3940285 0.84 TDP1 (0.55) TDP1LMNAALDH1A1KDM4EALOX15
SCHEMBL12085022 0.84 TRPA1 (0.40) TDP1LMNAALDH1A1KDM4EALOX15
Acetic Acid SCHEMBL6646336 0.84 FFAR3 (0.41) TDP1LMNAALDH1A1KDM4EALOX15
SCHEMBL1574695 0.83 TDP1 (0.53) TDP1LMNAALDH1A1KDM4EALOX15
SCHEMBL5679764 0.82 TDP1 (0.33) TDP1LMNAALDH1A1KDM4EALOX15
SCHEMBL1498804 0.82 TDP1 (0.52) TDP1LMNAALDH1A1KDM4EALOX15
SCHEMBL2359794 0.80 TDP1 (0.55) TDP1LMNAALDH1A1KDM4EALOX15

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-117385175-A Pr and Nd separating nitrilotriacetamide extractant, and preparation method and application thereof 四川大学 2024-01-12 CN claimed