SCHEMBL31344500

SCHEMBL31344500

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
BLM P54132 1/20 0.43
HBB P68871 1/20 0.43
HIF1A Q16665 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.36
KDM4C Q9H3R0 12/20 0.35
KDM4A O75164 11/20 0.35
KDM5A P29375 2/20 0.35
KDM7A Q6ZMT4 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
TSHR P16473 2/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 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
SCHEMBL31344501 0.96 LMNA (0.43) LMNAMEN1KMT2ABLMHBB
SCHEMBL31344499 0.91 LMNA (0.46) LMNAMEN1KMT2ABLMHBB
SCHEMBL9442579 0.72 TSHR (0.50) LMNAMEN1KMT2ABLMHBB
SCHEMBL437110 0.70 ALDH1A1 (0.46) TSHR
SCHEMBL10751056 0.67 ALDH1A1 (0.48) KDM5APHF8TSHR
Adipic Acid SCHEMBL28123564 0.66 LMNA (0.65) LMNAMEN1KMT2ABLMHBB
SCHEMBL603996 0.66 ALDH1A1 (0.41) LMNAKDM4EALOX15
Succinic Acid SCHEMBL30945922 0.65 LMNA (0.60) LMNAMEN1KMT2ABLMHBB
Succinic Acid SCHEMBL6005297 0.65 LMNA (0.60) LMNAMEN1KMT2ABLMHBB
Succinic Acid SCHEMBL11769729 0.65 LMNA (0.60) LMNAMEN1KMT2ABLMHBB

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