SCHEMBL8930553

SCHEMBL8930553

O=C(O)CNC(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MME P08473 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APAF1 O14727 1/20 0.37
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CPA1 P15085 3/20 0.36

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
SCHEMBL9268407 0.82 EGFR (0.44) GSRALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL513919 0.79 GSR (0.44) GSRALDH1A1LMNAMEN1KMT2A
SCHEMBL2029476 0.77 MAPT (0.41) GSRALDH1A1LMNAMEN1KMT2A
SCHEMBL1306532 0.76 SIGMAR1 (0.42) GSRALDH1A1LMNAMEN1KMT2A
SCHEMBL6129084 0.76 GSR (0.42) GSRALDH1A1LMNAMEN1KMT2A
SCHEMBL27790191 0.75 CYP3A4 (0.44) GSRALDH1A1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL21219507 0.74 GSR (0.41) GSRALDH1A1LMNAMEN1KMT2A
SCHEMBL27524142 0.74 ALDH1A1 (0.50) GSRALDH1A1LMNAL3MBTL1HTT
SCHEMBL2793715 0.74 GRM7 (0.58) ALDH1A1LMNAMMEMEN1KMT2A
SCHEMBL594168 0.72 GSR (0.44) GSRALDH1A1MMEMEN1KMT2A

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-0756496-A1 DENDRIMERIC COMPOUNDS NYCOMED SALUTAR, INC. (US) 1997-02-05 EP disclosed
WO-1995028966-A1 DENDRIMERIC COMPOUNDS NYCOMED SALUTAR INC (US) 1995-11-02 WO disclosed