SCHEMBL7840344

SCHEMBL7840344

O=C(O)CO[N+](=O)OCc1cccc(CO[N+](=O)[O-])n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
TMEM97 Q5BJF2 2/20 0.32
POLB P06746 1/20 0.32
AHR P35869 1/20 0.32
RAB9A P51151 1/20 0.32
CASP6 P55212 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL10595586 0.83 LMNA (0.54) LMNAKCNH2ALDH1A1MEN1KMT2A
SCHEMBL4961500 0.79 LMNA (0.47) LMNAKCNH2MEN1KMT2AMAPT
SCHEMBL4379609 0.78 MRGPRX4 (0.54) LMNAKMT2AMRGPRX4TDP1KDM4E
SCHEMBL14394483 0.75 LMNA (0.47) LMNAKCNH2
SCHEMBL18107068 0.73 LMNA (0.45) LMNAKCNH2PGK1PGK2
SCHEMBL10595532 0.72 LMNA (0.44) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL4532460 0.72 LMNA (0.44) LMNAKCNH2ALDH1A1MAPTMRGPRX4
SCHEMBL19212962 0.71 KMT2A (0.49) LMNAKCNH2ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL10596067 0.71 LMNA (0.43) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL7828216 0.69 PTGS2 (0.44) LMNAALDH1A1KMT2ATDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1154999-A1 NITROXYDERIVATIVES HAVING ANTIINFLAMMATORY, ANALGESIC AND ANTITHROMBOTIC ACTIVITY NICOX S.A. (FR) 2001-11-21 EP disclosed
WO-2000051988-A1 NITROXYDERIVATIVES HAVING ANTIINFLAMMATORY, ANALGESIC AND ANTITHROMBOTIC ACTIVITY NICOX S.A. (FR) 2000-09-08 WO disclosed