SCHEMBL6676196

SCHEMBL6676196

N=C(Nc1ccc(CN)cc1)N[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.45
LOXL2 Q9Y4K0 2/20 0.44
PLG P00747 8/20 0.43
KLKB1 P03952 5/20 0.43
PLAU P00749 2/20 0.43
PLAT P00750 1/20 0.43
PRSS1 P07477 1/20 0.43
KLK1 P06870 7/20 0.40
KLK6 Q92876 6/20 0.40
F10 P00742 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
THRA P10827 1/20 0.37

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
SCHEMBL6674882 0.85 CFD (0.43) CA9LOXL2
SCHEMBL6678278 0.81 GHSR (0.45)
Hydrochloric Acid SCHEMBL7246329 0.80 GHSR (0.44)
SCHEMBL6680157 0.78 TAAR1 (0.38) PLGKLKB1KLK1KLK6CA1
Hydrochloric Acid SCHEMBL6678227 0.78 SLC7A5 (0.47)
SCHEMBL4905875 0.78 MAPT (0.46)
Hydrochloric Acid SCHEMBL7245681 0.77 TAAR1 (0.37) PLGKLKB1KLK1KLK6CA1
SCHEMBL6675088 0.76 MYLK4 (0.40)
SCHEMBL6676206 0.76 ALDH1A1 (0.50) CA9CA12CA1CA2
SCHEMBL6676402 0.75 ROCK2 (0.41) CA9CA12CA1CA2CA4

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