SCHEMBL30459345

SCHEMBL30459345

CN(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Gd-]

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TDP1 Q9NUW8 2/20 0.52
TOP1 P11387 1/20 0.48
KDM4E B2RXH2 2/20 0.44
PDE4A P27815 1/20 0.39
USP2 O75604 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37

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
SCHEMBL22961915 0.97 LMNA (0.58) LMNAL3MBTL1TDP1TOP1KDM4E
SCHEMBL120420 0.97 LMNA (0.58) LMNAL3MBTL1TDP1TOP1KDM4E
SCHEMBL25394654 0.97 LMNA (0.58) LMNAL3MBTL1TDP1TOP1KDM4E
SCHEMBL4754912 0.97 LMNA (0.58) LMNAL3MBTL1TDP1TOP1KDM4E
Hydrochloric Acid SCHEMBL25395838 0.95 LMNA (0.55) LMNAL3MBTL1TDP1TOP1KDM4E
Ammonia Solution, Strong SCHEMBL30623262 0.95 LMNA (0.55) LMNAL3MBTL1TDP1TOP1KDM4E
Bromide SCHEMBL25394898 0.95 LMNA (0.55) LMNAL3MBTL1TDP1TOP1KDM4E
Ethylenediamine SCHEMBL7007237 0.89 LMNA (0.48) LMNAL3MBTL1TDP1TOP1KDM4E
Bicarbonate SCHEMBL20420640 0.83 LMNA (0.57) LMNAL3MBTL1TDP1TOP1KDM4E
SCHEMBL21901457 0.82 LMNA (0.58) LMNAL3MBTL1TDP1TOP1KDM4E

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-111825703-B Preparation method of gadobenate dimeglumine injection impurity 江西司太立制药有限公司 2023-06-23 CN disclosed