SCHEMBL28972947

SCHEMBL28972947

O=[N+]([O-])N(CCCl)CCCl

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
HBB P68871 1/20 0.30

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
SCHEMBL603996 0.71 ALDH1A1 (0.41) LMNAMAPT
SCHEMBL14718282 0.69 KDM4E (0.31) TSHR
SCHEMBL9481822 0.69
SCHEMBL9480705 0.69
SCHEMBL10337158 0.69 ALDH1A1 (0.39) MAPT
Nitric Acid SCHEMBL23493543 0.67 CA5A (0.42) MAPT
SCHEMBL437110 0.65 ALDH1A1 (0.46) MAPTTSHR
SCHEMBL2681712 0.65 ALDH1A1 (0.39)
SCHEMBL6124295 0.65 TSHR (0.40) TSHR
SCHEMBL31344499 0.64 LMNA (0.46) LMNAMAPTTSHRHBB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115504903-A Preparation method of 1,5-diazido-3-nitroazapentane 西安近代化学研究所 2022-12-23 CN claimed
CN-115504903-A Preparation method of 1,5-diazido-3-nitroazapentane 西安近代化学研究所 2022-12-23 CN disclosed
CN-115504903-A Preparation method of 1,5-diazido-3-nitroazapentane 西安近代化学研究所 2022-12-23 CN disclosed