SCHEMBL6676200

SCHEMBL6676200

NCc1ccc(NC(N)=N[N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.44
CA9 Q16790 2/20 0.41
PLAU P00749 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PLG P00747 5/20 0.40
KLKB1 P03952 4/20 0.40
PLAT P00750 1/20 0.40
PRSS1 P07477 1/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
KLK1 P06870 4/20 0.38
KLK6 Q92876 4/20 0.38

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
SCHEMBL6676407 0.88 NOS3 (0.39) CA9GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6677729 0.85 STING1 (0.40) CA9GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6674885 0.85 SIGMAR1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6677904 0.84 STING1 (0.39) CA9GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8854032 0.83 KMT2A (0.48)
SCHEMBL6678280 0.81 GHSR (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11876742 0.80 GRIN2D (0.54) CA9GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11879070 0.80 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11879093 0.80 NPC1 (0.52) CA9ADRA2AADRA2BADRA2CCA12
SCHEMBL11879129 0.80 ALDH1A1 (0.52) CA9SIGMAR1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP claimed
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed