SCHEMBL31344499

SCHEMBL31344499

O=C(O)CCN(CCN(CCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
MEN1 O00255 1/20 0.46
BLM P54132 1/20 0.46
HBB P68871 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
EGLN1 Q9GZT9 3/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
MAPK1 P28482 1/20 0.35
SLC13A3 Q8WWT9 1/20 0.35
OR51E2 Q9H255 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.33
PHF8 Q9UPP1 3/20 0.32
KDM2A Q9Y2K7 3/20 0.32
KDM7A Q6ZMT4 1/20 0.32
KDM4E B2RXH2 2/20 0.32
KDM5C P41229 2/20 0.32
KDM6B O15054 1/20 0.32
FOLH1 Q04609 1/20 0.32

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
SCHEMBL31344501 0.91 LMNA (0.43) LMNAMEN1BLMHBBKMT2A
SCHEMBL31344500 0.91 LMNA (0.43) LMNAMEN1BLMHBBKMT2A
SCHEMBL10337158 0.72 ALDH1A1 (0.39) KDM4EMAPTALDH1A1
SCHEMBL603996 0.69 ALDH1A1 (0.41) LMNAKDM4EMAPTALDH1A1
Succinic Acid SCHEMBL11769729 0.68 LMNA (0.60) LMNAMEN1BLMHBBKMT2A
Succinic Acid SCHEMBL30945922 0.68 LMNA (0.60) LMNAMEN1BLMHBBKMT2A
Succinic Acid SCHEMBL6005297 0.68 LMNA (0.60) LMNAMEN1BLMHBBKMT2A
SCHEMBL9442579 0.67 TSHR (0.50) LMNAMEN1BLMHBBKMT2A
SCHEMBL22398276 0.66
Nitric Acid SCHEMBL23493543 0.65 CA5A (0.42) KDM4EMAPTALDH1A1

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-119350177-A Preparation method of carboxyl-terminated dinitramine compound 西安近代化学研究所 2025-01-24 CN disclosed